
 CHEMBL88548

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.9245    3.0406    2.8840 C   0  0  0  0  0
    3.5767    2.9132    1.5535 C   0  0  0  0  0
    3.9019    3.9098    0.6299 C   0  0  0  0  0
    4.7157    3.2533   -0.2955 N   0  0  0  0  0
    4.4283    1.9254   -0.3247 N   0  0  0  0  0
    3.8523    1.6874    0.8693 C   0  0  0  0  0
    3.5225    0.3111    1.2855 C   0  0  0  0  0
    3.0704    0.0125    2.3875 O   0  0  0  0  0
    3.7564   -0.6322    0.2866 N   0  0  0  0  0
    3.5318   -2.0077    0.5136 N   0  0  0  0  0
    2.2062   -2.3928    0.0325 C   0  0  0  0  0
    5.7184    3.7511   -1.1774 C   0  0  0  0  0
    6.5719    4.8187   -0.8554 C   0  0  0  0  0
    7.5524    5.2270   -1.7713 C   0  0  0  0  0
    7.7036    4.5625   -2.9858 C   0  0  0  0  0
    6.8887    3.4821   -3.3018 C   0  0  0  0  0
    5.9048    3.0719   -2.3995 C   0  0  0  0  0
    8.9327    5.0553   -4.0830 Cl  0  0  0  0  0
    6.6539    5.5744    0.6980 Cl  0  0  0  0  0
    3.4457    5.3106    0.5097 C   0  0  0  0  0
    3.2506    6.1295    1.6302 C   0  0  0  0  0
    2.7549    7.4330    1.4986 C   0  0  0  0  0
    2.4599    7.9396    0.2380 C   0  0  0  0  0
    2.6498    7.1513   -0.8913 C   0  0  0  0  0
    3.1284    5.8429   -0.7538 C   0  0  0  0  0
    1.8532    9.5404    0.0756 Cl  0  0  0  0  0
    3.0813    2.1502    3.4990 H   0  0  0  0  0
    1.8491    3.2051    2.7792 H   0  0  0  0  0
    3.3587    3.8618    3.4593 H   0  0  0  0  0
    4.1813   -0.3050   -0.5817 H   0  0  0  0  0
    3.5488   -2.1512    1.5320 H   0  0  0  0  0
    2.1232   -2.2445   -1.0491 H   0  0  0  0  0
    1.4154   -1.8223    0.5314 H   0  0  0  0  0
    2.0376   -3.4542    0.2387 H   0  0  0  0  0
    8.2285    6.0412   -1.5189 H   0  0  0  0  0
    7.0177    2.9477   -4.2401 H   0  0  0  0  0
    5.2786    2.2219   -2.6677 H   0  0  0  0  0
    3.4935    5.7821    2.6283 H   0  0  0  0  0
    2.6048    8.0430    2.3859 H   0  0  0  0  0
    2.4173    7.5400   -1.8792 H   0  0  0  0  0
    3.2292    5.2421   -1.6550 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL88548

>  <PubChem CID>
11122439

>  <Formula>
C18H15Cl3N4O

>  <Molecular Weight>
409.695000

>  <IUPAC Name>
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazole-3-carbohydrazide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N(N=C1C(=O)NNC)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=C(N(N=C1C(=O)NNC)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H15Cl3N4O/c1-10-16(18(26)23-22-2)24-25(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-9,22H,1-2H3,(H,23,26)

>  <InChI Key>
ABGHTQVGZLITLA-UHFFFAOYSA-N

