
 CHEMBL1208986

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.2981    3.1174   -1.2897 C   0  0  0  0  0
    4.8640    1.8503   -0.7477 N   0  0  0  0  0
    3.6330    1.4927   -0.2405 C   0  0  0  0  0
    3.7672    0.1665    0.1284 C   0  0  0  0  0
    5.0892   -0.1779   -0.1859 C   0  0  0  0  0
    5.7607    0.8430   -0.7130 N   0  0  0  0  0
    2.4117    2.3691   -0.1214 C   0  0  0  0  0
    1.9046    2.9345   -1.5127 C   0  0  0  0  0
    2.1018    4.3859   -1.3483 C   0  0  0  0  0
    2.4745    4.7161   -0.0826 C   0  0  0  0  0
    2.6214    3.5973    0.8576 C   0  0  0  0  0
    2.6342    6.0523   -0.0398 N   0  0  0  0  0
    2.3956    6.6188   -1.2466 N   0  0  0  0  0
    2.0582    5.5916   -2.0682 C   0  0  0  0  0
    1.7235    5.7573   -3.4841 C   0  0  0  0  0
    1.4530    4.8421   -4.2527 O   0  0  0  0  0
    1.7283    7.0329   -3.9412 O   0  0  0  0  0
    5.1846    3.8865   -0.5247 H   0  0  0  0  0
    4.7093    3.3405   -2.1802 H   0  0  0  0  0
    6.3538    3.0502   -1.5690 H   0  0  0  0  0
    3.0081   -0.4670    0.5658 H   0  0  0  0  0
    5.5921   -1.1269   -0.0530 H   0  0  0  0  0
    1.6105    1.7420    0.2957 H   0  0  0  0  0
    0.8385    2.7124   -1.6378 H   0  0  0  0  0
    2.4523    2.5258   -2.3671 H   0  0  0  0  0
    3.5926    3.5857    1.3597 H   0  0  0  0  0
    1.8256    3.6195    1.6090 H   0  0  0  0  0
    2.9051    6.6517    0.7342 H   0  0  0  0  0
    1.4873    6.9406   -4.8826 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208986

>  <PubChem CID>
12003694

>  <Formula>
C11H12N4O2

>  <Molecular Weight>
232.243000

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

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=CC=N1)C2CC3=C(C2)NN=C3C(=O)O

>  <Isomeric SMILES>
CN1C(=CC=N1)C2CC3=C(C2)NN=C3C(=O)O

>  <InChI Std. ID>
InChI=1S/C11H12N4O2/c1-15-9(2-3-12-15)6-4-7-8(5-6)13-14-10(7)11(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)

>  <InChI Key>
ZAJBYTSUTBCMRM-UHFFFAOYSA-N

