
 CHEMBL1208926

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.9290   -0.3242   -0.8720 C   0  0  0  0  0
    2.1995    0.3320   -1.0622 N   0  0  0  0  0
    3.2488    0.3640   -0.1908 C   0  0  0  0  0
    4.2379    1.1121   -0.7980 C   0  0  0  0  0
    3.6683    1.4805   -2.0414 C   0  0  0  0  0
    2.4329    1.0023   -2.2027 N   0  0  0  0  0
    5.5999    1.4488   -0.2575 C   0  0  0  0  0
    5.8375    3.0188   -0.1830 C   0  0  0  0  0
    6.7520    3.2456   -1.3182 C   0  0  0  0  0
    7.2317    2.0792   -1.8268 C   0  0  0  0  0
    6.7550    0.8536   -1.1696 C   0  0  0  0  0
    8.0358    2.3850   -2.8620 N   0  0  0  0  0
    8.1129    3.7240   -3.0509 N   0  0  0  0  0
    7.3141    4.2701   -2.0973 C   0  0  0  0  0
    7.0985    5.7102   -1.9439 C   0  0  0  0  0
    6.3963    6.2286   -1.0838 O   0  0  0  0  0
    7.7423    6.4972   -2.8408 O   0  0  0  0  0
    0.9422   -0.8758    0.0710 H   0  0  0  0  0
    0.7675   -1.0138   -1.7043 H   0  0  0  0  0
    0.1482    0.4401   -0.8482 H   0  0  0  0  0
    3.2072   -0.1332    0.7681 H   0  0  0  0  0
    4.1055    2.0762   -2.8335 H   0  0  0  0  0
    5.6798    1.0237    0.7518 H   0  0  0  0  0
    6.3400    3.2732    0.7568 H   0  0  0  0  0
    4.9109    3.5946   -0.2632 H   0  0  0  0  0
    6.3996    0.0972   -1.8750 H   0  0  0  0  0
    7.5450    0.4276   -0.5421 H   0  0  0  0  0
    8.5570    1.7750   -3.4838 H   0  0  0  0  0
    7.4758    7.4002   -2.5834 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 21  1  0  0  0
  4  5  1  0  0  0
  4  7  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>
CHEMBL1208926

>  <PubChem CID>
12003695

>  <Formula>
C11H12N4O2

>  <Molecular Weight>
232.243000

>  <IUPAC Name>
5-(1-methylpyrazol-4-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=C(C=N1)C2CC3=C(C2)NN=C3C(=O)O

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

>  <InChI Std. ID>
InChI=1S/C11H12N4O2/c1-15-5-7(4-12-15)6-2-8-9(3-6)13-14-10(8)11(16)17/h4-6H,2-3H2,1H3,(H,13,14)(H,16,17)

>  <InChI Key>
XYWIUBWVNYDMDA-UHFFFAOYSA-N

