
 CHEMBL159134

 33 35  0  0  0  0  0  0  0  0999 V2000
   -0.8827    0.6173    0.8115 C   0  0  0  0  0
    0.2892    0.9512    1.4926 C   0  0  0  0  0
    1.4895    0.3210    1.1640 C   0  0  0  0  0
    1.5080   -0.6496    0.1548 C   0  0  0  0  0
    0.3325   -0.9986   -0.5152 C   0  0  0  0  0
   -0.8621   -0.3548   -0.1909 C   0  0  0  0  0
    2.7727   -1.3380   -0.1937 C   0  0  0  0  0
    2.7956   -2.5619   -0.2227 O   0  0  0  0  0
    3.8045   -0.4804   -0.4843 N   0  0  0  0  0
    5.1039   -0.8517   -0.7189 C   0  0  0  0  0
    5.9790    0.0808   -1.0952 N   0  0  0  0  0
    7.1335   -0.5926   -1.2192 N   0  0  0  0  0
    7.0615   -1.9154   -0.8628 C   0  0  0  0  0
    5.7208   -2.1130   -0.5824 C   0  0  0  0  0
    8.2099   -2.8219   -0.8235 C   0  0  0  0  0
    8.0212   -4.2100   -0.9035 C   0  0  0  0  0
    9.1088   -5.0882   -0.8400 C   0  0  0  0  0
   10.3976   -4.5845   -0.6940 C   0  0  0  0  0
   10.6074   -3.2114   -0.6101 C   0  0  0  0  0
    9.5184   -2.3350   -0.6728 C   0  0  0  0  0
   11.7363   -5.6608   -0.6085 Cl  0  0  0  0  0
   -1.8180    1.1089    1.0699 H   0  0  0  0  0
    0.2636    1.6947    2.2857 H   0  0  0  0  0
    2.3944    0.5677    1.7139 H   0  0  0  0  0
    0.3488   -1.7640   -1.2875 H   0  0  0  0  0
   -1.7789   -0.6153   -0.7142 H   0  0  0  0  0
    3.6419    0.5111   -0.5878 H   0  0  0  0  0
    7.9475   -0.0829   -1.5417 H   0  0  0  0  0
    5.2559   -3.0360   -0.2647 H   0  0  0  0  0
    7.0229   -4.6278   -1.0180 H   0  0  0  0  0
    8.9393   -6.1600   -0.9015 H   0  0  0  0  0
   11.6119   -2.8150   -0.4861 H   0  0  0  0  0
    9.7163   -1.2709   -0.5751 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 32  1  0  0  0
 20 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL159134

>  <PubChem CID>
794166

>  <Formula>
C16H12ClN3O

>  <Molecular Weight>
297.742000

>  <IUPAC Name>
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)

>  <InChI Key>
BHJKTBUGWNYLLO-UHFFFAOYSA-N

