
 CHEMBL1208919

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.7898    2.2733   -0.4685 C   0  0  0  0  0
    2.2443    2.4288   -0.0517 C   0  0  0  0  0
    3.1178    1.3263   -0.6565 C   0  0  0  0  0
    4.5947    1.4287   -0.2258 C   0  0  0  0  0
    5.3176    2.6930   -0.8596 C   0  0  0  0  0
    6.1324    2.0828   -1.9230 C   0  0  0  0  0
    6.1659    0.7283   -1.8251 C   0  0  0  0  0
    5.4022    0.1520   -0.7136 C   0  0  0  0  0
    6.9262    0.2657   -2.8351 N   0  0  0  0  0
    7.3984    1.2754   -3.6058 N   0  0  0  0  0
    6.9066    2.4125   -3.0474 C   0  0  0  0  0
    7.1646    3.7550   -3.5719 C   0  0  0  0  0
    6.7322    4.7955   -3.0897 O   0  0  0  0  0
    7.9454    3.8109   -4.6791 O   0  0  0  0  0
    0.1837    3.0752   -0.0351 H   0  0  0  0  0
    0.3828    1.3167   -0.1254 H   0  0  0  0  0
    0.6867    2.3207   -1.5575 H   0  0  0  0  0
    2.3097    2.3956    1.0419 H   0  0  0  0  0
    2.5936    3.4173   -0.3658 H   0  0  0  0  0
    3.0434    1.3526   -1.7509 H   0  0  0  0  0
    2.7217    0.3544   -0.3356 H   0  0  0  0  0
    4.6322    1.4865    0.8694 H   0  0  0  0  0
    5.9618    3.1662   -0.1107 H   0  0  0  0  0
    4.6197    3.4347   -1.2537 H   0  0  0  0  0
    4.7490   -0.6685   -1.0223 H   0  0  0  0  0
    6.0735   -0.1929    0.0795 H   0  0  0  0  0
    7.1734   -0.6885   -3.0784 H   0  0  0  0  0
    7.9977    4.7661   -4.8717 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  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  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>
CHEMBL1208919

>  <PubChem CID>
49862072

>  <Formula>
C10H14N2O2

>  <Molecular Weight>
194.234000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1CC2=C(C1)NN=C2C(=O)O

>  <Isomeric SMILES>
CCCC1CC2=C(C1)NN=C2C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H14N2O2/c1-2-3-6-4-7-8(5-6)11-12-9(7)10(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)

>  <InChI Key>
IFQBSTZVKJNGLF-UHFFFAOYSA-N

