49789556
  -OEChem-04192407022D

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    2.0000    3.8081    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    4.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0665   -1.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986   -4.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5306   -0.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736    1.4480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986   -0.6397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646    2.3991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    2.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646    0.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    4.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    4.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986   -3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    5.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -5.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2659    1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2617   -0.3297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    2.5372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -1.8297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    5.4971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956   -3.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -3.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9512    4.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6370    5.7061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8184    5.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -1.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636   -2.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105   -2.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3546   -5.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -5.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9746   -4.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 17 31  1  0  0  0  0
 18 23  2  0  0  0  0
 18 32  1  0  0  0  0
 19 24  2  0  0  0  0
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 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789556

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
498

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAYAAAADAyBngoyxpLjBACqAyVyUACSDAAnIgAYuSG3bNgOZ7LE9duVtShn3BXY6Ye8+K2OAEAACAAIEAAAgAAQABAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-methoxyphenyl)-1<I>H</I>-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,4-dimethoxyphenyl)-3-(5-fluoranyl-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18FN3O4/c1-25-12-5-6-14(18(9-12)27-3)21-19(24)16-10-15(22-23-16)13-8-11(20)4-7-17(13)26-2/h4-10H,1-3H3,(H,21,24)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
FWYLPIGNGZZFIW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
371.12813423

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18FN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
371.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=C(C=CC(=C3)F)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=C(C=CC(=C3)F)OC)OC

> <PUBCHEM_CACTVS_TPSA>
85.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.12813423

> <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  14  8
10  17  8
11  12  8
13  16  8
13  18  8
14  19  8
16  20  8
17  22  8
18  23  8
19  24  8
20  21  8
21  23  8
22  24  8
6  11  8
6  8  8
8  9  8
9  12  8

$$$$