46920274
  -OEChem-04232408092D

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    5.3457    1.7536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2370    0.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2940   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3402    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5619   -2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2940   -2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    4.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    4.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2940   -4.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0293   -0.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8309   -1.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0935    1.1872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -3.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8309   -3.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0648    4.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
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  3 27  1  0  0  0  0
  4 23  1  0  0  0  0
  4 28  1  0  0  0  0
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  6  8  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
46920274

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAYAAAADAyBngIyxpLjBACqAyVyUACSDAAnIgAYuSG3bNgOZ7LE9duVtShn3BXY6Ye8+K2OIEAACAAIEABAgAAQABAgAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N3O5/c1-25-12-5-7-14(18(9-12)27-3)16-11-17(23-22-16)20(24)21-15-8-6-13(26-2)10-19(15)28-4/h5-11H,1-4H3,(H,21,24)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
LJRMZFRYIMZEDL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
383.14812078

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
383.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
94.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.14812078

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  12  8
11  12  8
13  17  8
14  20  8
15  19  8
15  21  8
17  18  8
18  20  8
19  22  8
21  24  8
22  23  8
23  24  8
6  11  8
6  8  8
8  10  8
9  13  8
9  14  8

$$$$