645236
  -OEChem-05112400572D

 38 41  0     0  0  0  0  0  0999 V2000
    2.6691    0.0777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.5155    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147   -2.5155    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147   -2.5155    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1136    3.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7698    1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.4845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -1.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    1.4460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7268    2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4473    1.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1080    3.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -1.3255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3306   -0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062    3.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130    2.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8302    0.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    1.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8801    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5236    3.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 25  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 17  2  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 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 24 26  1  0  0  0  0
 24 34  1  0  0  0  0
 25 36  1  0  0  0  0
 26 27  2  0  0  0  0
 26 37  1  0  0  0  0
 27 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
645236

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
553

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sYBAAAAAAAAAAAAAAAAAAWJEgAAsAAAAAAAAAFgB/gAAHwQYAAAADAzl3xa9tZ7IFEiuA7939ACTjKslqrBdmLm+bNiOLvrk/fuHvajszhP46eeYkYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-furylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-furfuryl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H11F3N4O2S/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h1-7,9H,8H2,(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
YZMQIVNKDMOERB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
392.05548127

> <PUBCHEM_MOLECULAR_FORMULA>
C17H11F3N4O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
392.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.05548127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
1  19  8
1  25  8
11  13  8
12  15  8
13  16  8
14  15  8
19  22  8
21  24  8
22  23  8
23  25  8
24  26  8
26  27  8
5  21  8
5  27  8
7  11  8
7  12  8
7  9  8
8  11  8
8  14  8
9  16  8

$$$$