
 CHEMBL363062

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.8313    3.5860   -0.3149 C   0  0  0  0  0
   -0.3400    3.3356   -1.5932 C   0  0  0  0  0
    0.8635    2.6447   -1.7565 C   0  0  0  0  0
    1.5900    2.1944   -0.6421 C   0  0  0  0  0
    1.0879    2.4632    0.6388 C   0  0  0  0  0
   -0.1178    3.1523    0.8007 C   0  0  0  0  0
    2.8447    1.4567   -0.8179 C   0  0  0  0  0
    3.7623    1.3550    0.1544 N   0  0  0  0  0
    4.8167    0.7222   -0.4149 N   0  0  0  0  0
    4.4794    0.1820   -1.6551 C   0  0  0  0  0
    3.2536    0.7241   -1.9617 C   0  0  0  0  0
    5.2011   -0.7703   -2.3870 N   0  0  0  0  0
    4.8554   -1.1808   -3.7188 C   0  0  0  0  0
    3.9207   -0.6753   -4.3164 O   0  0  0  0  0
    5.6728   -2.2542   -4.3399 C   0  0  0  0  0
    6.9934   -2.5159   -3.9522 C   0  0  0  0  0
    7.7170   -3.5302   -4.5907 C   0  0  0  0  0
    7.1283   -4.2756   -5.6134 C   0  0  0  0  0
    5.8194   -4.0146   -6.0100 C   0  0  0  0  0
    5.0930   -3.0027   -5.3777 C   0  0  0  0  0
    8.0279   -5.5133   -6.3951 Cl  0  0  0  0  0
    6.0727    0.6723    0.2514 C   0  0  0  0  0
    7.2667    0.4970   -0.4646 C   0  0  0  0  0
    8.4882    0.4547    0.2124 C   0  0  0  0  0
    8.5256    0.5940    1.5985 C   0  0  0  0  0
    7.3456    0.7983    2.3113 C   0  0  0  0  0
    6.1214    0.8508    1.6414 C   0  0  0  0  0
   -1.7682    4.1230   -0.1878 H   0  0  0  0  0
   -0.8912    3.6808   -2.4645 H   0  0  0  0  0
    1.2242    2.4785   -2.7683 H   0  0  0  0  0
    1.6297    2.1334    1.5230 H   0  0  0  0  0
   -0.4992    3.3509    1.7993 H   0  0  0  0  0
    2.6635    0.5676   -2.8525 H   0  0  0  0  0
    5.9498   -1.2403   -1.8960 H   0  0  0  0  0
    7.5005   -1.9331   -3.1891 H   0  0  0  0  0
    8.7461   -3.7306   -4.2979 H   0  0  0  0  0
    5.3611   -4.5888   -6.8128 H   0  0  0  0  0
    4.0721   -2.8036   -5.7038 H   0  0  0  0  0
    7.2930    0.4725   -1.5496 H   0  0  0  0  0
    9.4190    0.3430   -0.3399 H   0  0  0  0  0
    9.4782    0.5690    2.1237 H   0  0  0  0  0
    7.3791    0.9264    3.3913 H   0  0  0  0  0
    5.2142    1.0181    2.2207 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 39  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 26  1  0  0  0
 25 41  1  0  0  0
 26 27  2  0  0  0
 26 42  1  0  0  0
 27 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL363062

>  <PubChem CID>
342596

>  <Formula>
C22H16ClN3O

>  <Molecular Weight>
373.840000

>  <IUPAC Name>
4-chloro-N-(2,5-diphenylpyrazol-3-yl)benzamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H16ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)

>  <InChI Key>
ATESSTJCVXDGTE-UHFFFAOYSA-N

