2237135
  -OEChem-05142406462D

 55 58  0     0  0  0  0  0  0999 V2000
    8.1962   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0920    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5920    2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9843   -0.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6746    0.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1289    1.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2820    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0551    0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4720    2.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9020    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820    3.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7120    2.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9020    3.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  5 25  1  0  0  0  0
  5 33  1  0  0  0  0
  6 26  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 28  2  0  0  0  0
 21 29  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 27  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 32  2  0  0  0  0
 30 47  1  0  0  0  0
 31 32  1  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2237135

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
691

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAIAAAADAzBnxYztp8IFACqAydydACSjCsnIqAdmCG+7NiNbvLE/duUtSpszhPK6ae00LMOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(3,4-dimethoxyphenyl)-N-methyl-N-(phenylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-5-(3,4-dimethoxyphenyl)-<I>N</I>-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(3,4-dimethoxyphenyl)-N-methyl-N-(phenylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21F3N4O3/c1-30(14-15-7-5-4-6-8-15)23(32)18-13-22-28-17(12-21(24(25,26)27)31(22)29-18)16-9-10-19(33-2)20(11-16)34-3/h4-13H,14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NXEXQKSWXAWYQX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
470.15657503

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21F3N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
470.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC1=CC=CC=C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC(=C(C=C4)OC)OC)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC1=CC=CC=C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC(=C(C=C4)OC)OC)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
69

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.15657503

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  14  8
11  15  8
12  16  8
13  15  8
14  16  8
18  22  8
18  23  8
21  28  8
21  29  8
22  25  8
23  27  8
25  26  8
26  27  8
28  30  8
29  31  8
30  32  8
31  32  8
7  11  8
7  12  8
7  9  8
9  13  8

$$$$