
 CHEMBL419138

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.4534    2.5236   -3.2759 C   0  0  0  0  0
    2.3648    2.2359   -2.0926 C   0  0  0  0  0
    3.4235    3.3253   -1.9162 C   0  0  0  0  0
    4.1595    3.0927   -0.6712 N   0  0  0  0  0
    5.1689    4.0601   -0.4868 N   0  0  0  0  0
    6.4671    3.6805   -0.1618 C   0  0  0  0  0
    6.8272    2.5063   -0.1200 O   0  0  0  0  0
    7.3615    4.8332    0.0756 C   0  0  0  0  0
    6.8624    6.0790    0.1485 N   0  0  0  0  0
    7.9314    6.8694    0.4339 N   0  0  0  0  0
    9.1276    6.2060    0.1397 C   0  0  0  0  0
    8.7868    4.8494    0.1489 C   0  0  0  0  0
    9.6829    3.6645    0.0415 C   0  0  0  0  0
   10.3901    6.8551   -0.2768 C   0  0  0  0  0
   10.3668    8.0042   -1.0876 C   0  0  0  0  0
   11.5504    8.5869   -1.5553 C   0  0  0  0  0
   12.7756    8.0081   -1.2441 C   0  0  0  0  0
   12.8263    6.8691   -0.4495 C   0  0  0  0  0
   11.6417    6.3069    0.0409 C   0  0  0  0  0
   14.2288    8.6957   -1.8544 Cl  0  0  0  0  0
    7.6847    8.2090    0.8631 C   0  0  0  0  0
    8.5299    8.9279    1.7190 C   0  0  0  0  0
    8.2223   10.2562    2.0538 C   0  0  0  0  0
    7.0625   10.8555    1.5683 C   0  0  0  0  0
    6.1876   10.1388    0.7622 C   0  0  0  0  0
    6.4902    8.8197    0.4172 C   0  0  0  0  0
    6.6925   12.4803    1.9943 Cl  0  0  0  0  0
    9.8681    8.2392    2.5722 Cl  0  0  0  0  0
    0.7109    1.7262   -3.3837 H   0  0  0  0  0
    2.0230    2.5880   -4.2080 H   0  0  0  0  0
    0.9161    3.4669   -3.1341 H   0  0  0  0  0
    2.8505    1.2634   -2.2402 H   0  0  0  0  0
    1.7503    2.1563   -1.1876 H   0  0  0  0  0
    2.9385    4.3082   -1.8767 H   0  0  0  0  0
    4.1057    3.3205   -2.7755 H   0  0  0  0  0
    4.6167    2.1715   -0.7097 H   0  0  0  0  0
    4.9444    5.0522   -0.4095 H   0  0  0  0  0
    9.1610    2.7278    0.2463 H   0  0  0  0  0
   10.4858    3.7151    0.7818 H   0  0  0  0  0
   10.1206    3.6005   -0.9586 H   0  0  0  0  0
    9.4257    8.4577   -1.3903 H   0  0  0  0  0
   11.5045    9.4784   -2.1748 H   0  0  0  0  0
   13.7808    6.4072   -0.2089 H   0  0  0  0  0
   11.7249    5.4327    0.6785 H   0  0  0  0  0
    8.8731   10.8166    2.7226 H   0  0  0  0  0
    5.2698   10.5945    0.3976 H   0  0  0  0  0
    5.7926    8.2825   -0.2233 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL419138

>  <PubChem CID>
11080633

>  <Formula>
C20H19Cl3N4O

>  <Molecular Weight>
437.749000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCNNC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CCCNNC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H19Cl3N4O/c1-3-10-24-25-20(28)18-12(2)19(13-4-6-14(21)7-5-13)27(26-18)17-9-8-15(22)11-16(17)23/h4-9,11,24H,3,10H2,1-2H3,(H,25,28)

>  <InChI Key>
ARUKUAWRYPZUPO-UHFFFAOYSA-N

