
 CHEMBL1208923

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2743   -1.3432   -0.0369 C   0  0  0  0  0
    2.2028   -0.0679   -0.2438 C   0  0  0  0  0
    1.3545    1.2080    0.1770 C   0  0  0  0  0
    0.0146    0.6175    0.2918 C   0  0  0  0  0
   -0.0508   -0.7359    0.1801 C   0  0  0  0  0
   -1.4062   -1.0739    0.3271 C   0  0  0  0  0
   -2.1339    0.0568    0.5197 N   0  0  0  0  0
   -1.2359    1.0700    0.5009 N   0  0  0  0  0
   -1.9857   -2.4184    0.2869 C   0  0  0  0  0
   -1.3514   -3.4510    0.1064 O   0  0  0  0  0
   -3.3277   -2.4824    0.4663 O   0  0  0  0  0
    2.7313    0.0382   -1.6632 C   0  0  0  0  0
    1.8749    0.1165   -2.7743 C   0  0  0  0  0
    2.4005    0.2087   -4.0641 C   0  0  0  0  0
    3.7703    0.2268   -4.2855 C   0  0  0  0  0
    4.6217    0.1531   -3.1925 C   0  0  0  0  0
    4.1131    0.0610   -1.8975 C   0  0  0  0  0
    4.9662   -0.0053   -0.8646 F   0  0  0  0  0
    5.9471    0.1722   -3.3917 F   0  0  0  0  0
    1.5656    0.2819   -5.1079 F   0  0  0  0  0
    1.5890   -1.8887    0.8597 H   0  0  0  0  0
    1.2888   -2.0260   -0.8915 H   0  0  0  0  0
    3.0541   -0.1543    0.4438 H   0  0  0  0  0
    1.4020    2.0177   -0.5567 H   0  0  0  0  0
    1.6943    1.5793    1.1496 H   0  0  0  0  0
   -1.5709    2.0189    0.6392 H   0  0  0  0  0
   -3.5212   -3.4378    0.4086 H   0  0  0  0  0
    0.7939    0.1045   -2.6562 H   0  0  0  0  0
    4.1672    0.2972   -5.2910 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 26  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 27  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208923

>  <PubChem CID>
12003490

>  <Formula>
C13H9F3N2O2

>  <Molecular Weight>
282.222000

>  <IUPAC Name>
5-(2,3,5-trifluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CC(=CC(=C3F)F)F

>  <Isomeric SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CC(=CC(=C3F)F)F

>  <InChI Std. ID>
InChI=1S/C13H9F3N2O2/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13(19)20/h3-5H,1-2H2,(H,17,18)(H,19,20)

>  <InChI Key>
RLMNVSLAEYDKEG-UHFFFAOYSA-N

