
 CHEMBL1208987

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.1783   -1.2488   -0.1935 C   0  0  0  0  0
    2.0520    0.0512   -0.4159 C   0  0  0  0  0
    1.2260    1.2807    0.1370 C   0  0  0  0  0
   -0.1070    0.6701    0.2578 C   0  0  0  0  0
   -0.1549   -0.6783    0.0817 C   0  0  0  0  0
   -1.5049   -1.0408    0.2193 C   0  0  0  0  0
   -2.2454    0.0703    0.4675 N   0  0  0  0  0
   -1.3631    1.0974    0.4844 N   0  0  0  0  0
   -2.0680   -2.3887    0.1141 C   0  0  0  0  0
   -1.4192   -3.4050   -0.1008 O   0  0  0  0  0
   -3.4117   -2.4750    0.2703 O   0  0  0  0  0
    2.4135    0.2342   -1.8168 N   0  0  0  0  0
    1.5766    0.3625   -2.8910 C   0  0  0  0  0
    2.3852    0.5245   -3.9907 C   0  0  0  0  0
    3.6933    0.4840   -3.4788 C   0  0  0  0  0
    3.7162    0.3144   -2.1548 N   0  0  0  0  0
    1.5388   -1.7933    0.6861 H   0  0  0  0  0
    1.1812   -1.9192   -1.0577 H   0  0  0  0  0
    2.9964   -0.0402    0.1363 H   0  0  0  0  0
    1.2423    2.1466   -0.5304 H   0  0  0  0  0
    1.6008    1.5714    1.1239 H   0  0  0  0  0
   -1.7129    2.0366    0.6508 H   0  0  0  0  0
   -3.5944   -3.4285    0.1686 H   0  0  0  0  0
    0.5005    0.3267   -2.7891 H   0  0  0  0  0
    2.0738    0.6531   -5.0173 H   0  0  0  0  0
    4.6300    0.5728   -4.0138 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 12  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  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 22  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208987

>  <PubChem CID>
12003601

>  <Formula>
C10H10N4O2

>  <Molecular Weight>
218.216000

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

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)N3C=CC=N3

>  <Isomeric SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)N3C=CC=N3

>  <InChI Std. ID>
InChI=1S/C10H10N4O2/c15-10(16)9-7-4-6(5-8(7)12-13-9)14-3-1-2-11-14/h1-3,6H,4-5H2,(H,12,13)(H,15,16)

>  <InChI Key>
SEVACDRXXJKSAI-UHFFFAOYSA-N

