
 CHEMBL1208920

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.7908   -1.0116   -0.7887 C   0  0  0  0  0
    2.2740    0.1811    0.0221 C   0  0  0  0  0
    2.1322   -0.2299    1.4909 C   0  0  0  0  0
    3.1953    1.4073   -0.1331 C   0  0  0  0  0
    2.7077    2.6796    0.6850 C   0  0  0  0  0
    3.1209    3.7817   -0.1998 C   0  0  0  0  0
    3.4688    3.3342   -1.4349 C   0  0  0  0  0
    3.3711    1.8844   -1.6358 C   0  0  0  0  0
    3.8291    4.4032   -2.1694 N   0  0  0  0  0
    3.7308    5.5518   -1.4574 N   0  0  0  0  0
    3.2902    5.1756   -0.2281 C   0  0  0  0  0
    3.0439    6.1130    0.8689 C   0  0  0  0  0
    2.6461    5.8036    1.9860 O   0  0  0  0  0
    3.2870    7.4181    0.5887 O   0  0  0  0  0
    2.8153   -0.7873   -1.8594 H   0  0  0  0  0
    2.1412   -1.8832   -0.6541 H   0  0  0  0  0
    3.8024   -1.2933   -0.4773 H   0  0  0  0  0
    1.2757    0.4385   -0.3545 H   0  0  0  0  0
    3.1067   -0.4655    1.9320 H   0  0  0  0  0
    1.4954   -1.1162    1.5863 H   0  0  0  0  0
    1.6730    0.5651    2.0866 H   0  0  0  0  0
    4.1981    1.1495    0.2425 H   0  0  0  0  0
    3.1915    2.7212    1.6651 H   0  0  0  0  0
    1.6200    2.6795    0.8107 H   0  0  0  0  0
    2.4944    1.6356   -2.2415 H   0  0  0  0  0
    4.2698    1.4515   -2.0831 H   0  0  0  0  0
    4.1471    4.4531   -3.1318 H   0  0  0  0  0
    3.0698    7.8739    1.4243 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208920

>  <PubChem CID>
49862073

>  <Formula>
C10H14N2O2

>  <Molecular Weight>
194.234000

>  <IUPAC Name>
5-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1CC2=C(C1)NN=C2C(=O)O

>  <Isomeric SMILES>
CC(C)C1CC2=C(C1)NN=C2C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H14N2O2/c1-5(2)6-3-7-8(4-6)11-12-9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)

>  <InChI Key>
GPBFYQJKFABUGU-UHFFFAOYSA-N

