
 CHEMBL1916276

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.8210    2.9889   -3.6889 C   0  0  0  0  0
    3.3226    3.0368   -3.3750 C   0  0  0  0  0
    4.0849    3.6676   -4.5476 C   0  0  0  0  0
    3.8538    5.1697   -4.6759 C   0  0  0  0  0
    4.1655    5.8988   -3.3747 C   0  0  0  0  0
    3.4202    5.3032   -2.1809 C   0  0  0  0  0
    3.5941    3.7829   -2.0457 C   0  0  0  0  0
    4.9174    3.4860   -1.5017 N   0  0  0  0  0
    5.1640    2.4103   -0.6770 C   0  0  0  0  0
    4.2916    1.6200   -0.3408 O   0  0  0  0  0
    6.5250    2.2996   -0.1638 C   0  0  0  0  0
    7.6638    3.0673   -0.3674 C   0  0  0  0  0
    8.6475    2.5617    0.4979 N   0  0  0  0  0
    8.2435    1.3950    1.0620 N   0  0  0  0  0
    6.9609    1.2887    0.7219 C   0  0  0  0  0
    9.9241    3.0936    0.8443 C   0  0  0  0  0
   10.1827    4.4696    0.8163 C   0  0  0  0  0
   11.4483    4.9534    1.1653 C   0  0  0  0  0
   12.4551    4.0725    1.5583 C   0  0  0  0  0
   12.1948    2.7068    1.6271 C   0  0  0  0  0
   10.9313    2.2177    1.2844 C   0  0  0  0  0
    7.8017    4.1280   -1.3717 N   0  0  0  0  0
    8.3772    3.4449   -2.8680 S   0  0  0  0  0
    9.7374    3.0136   -2.6383 O   0  0  0  0  0
    7.3490    2.5657   -3.3767 O   0  0  0  0  0
    8.4542    4.8836   -3.9141 C   0  0  0  0  0
    7.6691    4.9618   -5.0660 C   0  0  0  0  0
    7.8079    6.0508   -5.9296 C   0  0  0  0  0
    8.7534    7.0493   -5.6655 C   0  0  0  0  0
    9.5263    6.9685   -4.4996 C   0  0  0  0  0
    9.3848    5.8862   -3.6269 C   0  0  0  0  0
    8.9379    8.1805   -6.6356 C   0  0  0  0  0
    1.2839    2.4274   -2.9184 H   0  0  0  0  0
    1.6413    2.4928   -4.6492 H   0  0  0  0  0
    1.3765    3.9872   -3.7451 H   0  0  0  0  0
    3.6617    1.9965   -3.2799 H   0  0  0  0  0
    3.8172    3.1743   -5.4899 H   0  0  0  0  0
    5.1501    3.4820   -4.4001 H   0  0  0  0  0
    4.4813    5.5709   -5.4801 H   0  0  0  0  0
    2.8159    5.3651   -4.9694 H   0  0  0  0  0
    5.2452    5.8669   -3.1887 H   0  0  0  0  0
    3.8972    6.9565   -3.4781 H   0  0  0  0  0
    3.7587    5.8018   -1.2642 H   0  0  0  0  0
    2.3532    5.5342   -2.2824 H   0  0  0  0  0
    2.8708    3.4288   -1.3003 H   0  0  0  0  0
    5.7180    4.0219   -1.8110 H   0  0  0  0  0
    6.3799    0.4666    1.1250 H   0  0  0  0  0
    9.4067    5.1984    0.6152 H   0  0  0  0  0
   11.6454    6.0231    1.1566 H   0  0  0  0  0
   13.4372    4.4518    1.8314 H   0  0  0  0  0
   12.9728    2.0183    1.9492 H   0  0  0  0  0
   10.7529    1.1446    1.3442 H   0  0  0  0  0
    8.5619    4.7599   -1.1184 H   0  0  0  0  0
    6.9740    4.1694   -5.3269 H   0  0  0  0  0
    7.1974    6.0989   -6.8301 H   0  0  0  0  0
   10.2695    7.7334   -4.2829 H   0  0  0  0  0
   10.0335    5.8172   -2.7577 H   0  0  0  0  0
    9.8501    8.7463   -6.4190 H   0  0  0  0  0
    8.0861    8.8653   -6.5897 H   0  0  0  0  0
    9.0324    7.7916   -7.6555 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 20 21  2  0  0  0
 20 51  1  0  0  0
 21 52  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 26  1  0  0  0
 23 25  2  0  0  0
 23 24  2  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 28 29  2  0  0  0
 28 55  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 56  1  0  0  0
 31 57  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916276

>  <PubChem CID>
57399909

>  <Formula>
C24H28N4O3S

>  <Molecular Weight>
452.573000

>  <IUPAC Name>
N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCCCC1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

>  <Isomeric SMILES>
CC1CCCCC1NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

>  <InChI Std. ID>
InChI=1S/C24H28N4O3S/c1-17-12-14-20(15-13-17)32(30,31)27-23-21(16-25-28(23)19-9-4-3-5-10-19)24(29)26-22-11-7-6-8-18(22)2/h3-5,9-10,12-16,18,22,27H,6-8,11H2,1-2H3,(H,26,29)

>  <InChI Key>
AYPVPRGQTUGNOF-UHFFFAOYSA-N

