
 CHEMBL520472

 59 61  0  0  0  0  0  0  0  0999 V2000
   11.3565    7.6477   -3.4364 C   0  0  0  0  0
   10.3063    8.1293   -2.4474 C   0  0  0  0  0
    9.2760    7.0363   -2.1496 C   0  0  0  0  0
    8.2529    7.4447   -1.0721 C   0  0  0  0  0
    7.2843    8.5206   -1.6160 C   0  0  0  0  0
    6.3047    9.0541   -0.5660 C   0  0  0  0  0
    5.3356   10.0539   -1.1830 C   0  0  0  0  0
    7.4515    6.2100   -0.6630 C   0  0  0  0  0
    6.5856    5.7185   -1.3833 O   0  0  0  0  0
    7.6099    5.8028    0.6344 N   0  0  0  0  0
    8.1058    4.5262    0.7675 C   0  0  0  0  0
    7.3671    3.6346    1.1861 O   0  0  0  0  0
    9.5107    4.2882    0.4049 C   0  0  0  0  0
   10.4479    5.2256    0.5964 N   0  0  0  0  0
   11.6224    4.6490    0.2473 N   0  0  0  0  0
   11.4479    3.3389   -0.1968 C   0  0  0  0  0
   10.0806    3.0911   -0.1177 C   0  0  0  0  0
    9.3697    1.8288   -0.4627 C   0  0  0  0  0
   12.5298    2.4038   -0.5341 C   0  0  0  0  0
   13.5692    2.1528    0.3748 C   0  0  0  0  0
   14.5998    1.2650    0.0502 C   0  0  0  0  0
   14.5875    0.6093   -1.1781 C   0  0  0  0  0
   13.5545    0.8344   -2.0846 C   0  0  0  0  0
   12.5301    1.7307   -1.7637 C   0  0  0  0  0
   15.8531   -0.4845   -1.5776 Cl  0  0  0  0  0
   12.8047    5.4399    0.2355 C   0  0  0  0  0
   13.1006    6.3391    1.2744 C   0  0  0  0  0
   14.2520    7.1330    1.2012 C   0  0  0  0  0
   15.0971    7.0394    0.0986 C   0  0  0  0  0
   14.8149    6.1500   -0.9335 C   0  0  0  0  0
   13.6737    5.3479   -0.8664 C   0  0  0  0  0
   16.5041    8.0248    0.0141 Cl  0  0  0  0  0
   12.1999    6.4419    2.7494 Cl  0  0  0  0  0
   12.0730    8.4480   -3.6461 H   0  0  0  0  0
   10.8945    7.3482   -4.3824 H   0  0  0  0  0
   11.9086    6.7924   -3.0367 H   0  0  0  0  0
    9.8171    9.0133   -2.8692 H   0  0  0  0  0
   10.8004    8.4407   -1.5198 H   0  0  0  0  0
    9.8060    6.1324   -1.8353 H   0  0  0  0  0
    8.7521    6.7637   -3.0751 H   0  0  0  0  0
    8.7785    7.8398   -0.1938 H   0  0  0  0  0
    6.7159    8.1131   -2.4626 H   0  0  0  0  0
    7.8526    9.3722   -2.0053 H   0  0  0  0  0
    6.8606    9.5405    0.2434 H   0  0  0  0  0
    5.7270    8.2369   -0.1213 H   0  0  0  0  0
    5.8704   10.8918   -1.6414 H   0  0  0  0  0
    4.6639   10.4558   -0.4183 H   0  0  0  0  0
    4.7221    9.5769   -1.9548 H   0  0  0  0  0
    6.6690    5.6625    0.9866 H   0  0  0  0  0
    8.2869    1.9137   -0.3444 H   0  0  0  0  0
    9.7164    1.0073    0.1715 H   0  0  0  0  0
    9.5512    1.5618   -1.5086 H   0  0  0  0  0
   13.5868    2.6399    1.3478 H   0  0  0  0  0
   15.4025    1.0866    0.7614 H   0  0  0  0  0
   13.5388    0.3167   -3.0403 H   0  0  0  0  0
   11.7358    1.9000   -2.4874 H   0  0  0  0  0
   14.4972    7.8144    2.0127 H   0  0  0  0  0
   15.4710    6.0835   -1.7984 H   0  0  0  0  0
   13.4569    4.6954   -1.7094 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  6 45  1  0  0  0
  7 46  1  0  0  0
  7 47  1  0  0  0
  7 48  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 49  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 22  2  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 55  1  0  0  0
 24 56  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 33  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 58  1  0  0  0
 31 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL520472

>  <PubChem CID>
25158186

>  <Formula>
C25H26Cl3N3O2

>  <Molecular Weight>
506.852000

>  <IUPAC Name>
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(2-propylpentanoyl)pyrazole-3-carboxamide

>  <XlogP>
8.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C25H26Cl3N3O2/c1-4-6-17(7-5-2)24(32)29-25(33)22-15(3)23(16-8-10-18(26)11-9-16)31(30-22)21-13-12-19(27)14-20(21)28/h8-14,17H,4-7H2,1-3H3,(H,29,32,33)

>  <InChI Key>
AXNHBIFSEBGKDO-UHFFFAOYSA-N

