49792638
  -OEChem-05032418422D

 46 48  0     0  0  0  0  0  0999 V2000
    5.4641   -5.7055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    0.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    4.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -1.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    1.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0142    4.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020    3.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    3.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386    5.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654   -1.3093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -4.2055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -4.2055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    0.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    1.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486    1.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2186    3.3433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    3.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4050    5.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    6.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    5.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 21  2  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 38  1  0  0  0  0
  6 12  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 40  1  0  0  0  0
  8 24  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 21  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792638

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
496

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHwAYAAAADBzhng4+xpLrFACqAzV3VACSjCA3MiAY+SG+fNgMZvLE9duWvSjm3BHI6Ye82KGOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4-fluoro-2-isopropoxy-phenyl)-N-(6-methoxy-3-pyridyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4-fluoro-2-propan-2-yloxyphenyl)-<I>N</I>-(6-methoxypyridin-3-yl)-1<I>H</I>-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxypyridin-3-yl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-fluoranyl-2-propan-2-yloxy-phenyl)-N-(6-methoxypyridin-3-yl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(4-fluoro-2-isopropoxy-phenyl)-N-(6-methoxy-3-pyridyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19FN4O3/c1-11(2)27-17-8-12(20)4-6-14(17)15-9-16(24-23-15)19(25)22-13-5-7-18(26-3)21-10-13/h4-11H,1-3H3,(H,22,25)(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
YJGIZMUOZBNLGK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
370.14411864

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19FN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
370.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)OC1=C(C=CC(=C1)F)C2=NNC(=C2)C(=O)NC3=CN=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)OC1=C(C=CC(=C1)F)C2=NNC(=C2)C(=O)NC3=CN=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
89.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.14411864

> <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>
10  16  8
12  13  8
13  14  8
15  19  8
16  20  8
19  20  8
22  23  8
22  24  8
23  25  8
25  26  8
5  14  8
5  6  8
6  12  8
8  24  8
8  26  8
9  10  8
9  15  8

$$$$