3835198
  -OEChem-04262416092D

 37 39  0     0  0  0  0  0  0999 V2000
    3.3987   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119    0.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    3.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    2.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177    0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0609    1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7551    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730    3.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059    0.3663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    2.5343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466   -0.1343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226   -2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1699    1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2158    1.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3402    1.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3835198

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAYAAAADAzBngY+hpBjBACiAzRnQACSDAAgoAAYuSAmTJgMJqKE8duAtCBkyBEI6AeQ0PEOoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5-bis(4-methoxyphenyl)-1H-pyrazole

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-bis(4-methoxyphenyl)-1H-pyrazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,5-bis(4-methoxyphenyl)-1<I>H</I>-pyrazole

> <PUBCHEM_IUPAC_NAME>
4,5-bis(4-methoxyphenyl)-1H-pyrazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5-bis(4-methoxyphenyl)-1H-pyrazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-bis(4-methoxyphenyl)-1H-pyrazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16N2O2/c1-20-14-7-3-12(4-8-14)16-11-18-19-17(16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
LPWXLVNCHJUDST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
280.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C17H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
280.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
47.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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
11  15  8
12  16  8
13  17  8
14  18  8
15  18  8
16  19  8
17  19  8
3  4  8
3  5  8
4  9  8
5  6  8
6  9  8
7  10  8
7  11  8
8  12  8
8  13  8

$$$$