
 6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.9082    0.0562   -0.1488 C   0  0  0  0  0
    2.4049   -0.0257    0.1107 C   0  0  0  0  0
    3.1824    1.1762   -0.5562 C   0  0  0  0  0
    3.8301    0.6436   -1.8894 C   0  0  0  0  0
    3.8048   -0.8127   -1.6745 C   0  0  0  0  0
    3.0342   -1.1498   -0.6044 C   0  0  0  0  0
    3.0734   -2.4894   -0.4810 N   0  0  0  0  0
    3.8397   -3.0556   -1.4426 N   0  0  0  0  0
    4.3009   -2.0214   -2.1934 C   0  0  0  0  0
    5.1767   -2.2221   -3.3499 C   0  0  0  0  0
    5.5976   -3.2888   -3.7789 O   0  0  0  0  0
    5.5360   -1.0766   -3.9864 O   0  0  0  0  0
    0.4828    0.9430    0.3322 H   0  0  0  0  0
    0.3950   -0.8250    0.2515 H   0  0  0  0  0
    0.6818    0.1121   -1.2197 H   0  0  0  0  0
    2.6063   -0.0556    1.1864 H   0  0  0  0  0
    2.5529    2.0549   -0.7307 H   0  0  0  0  0
    3.9916    1.4845    0.1200 H   0  0  0  0  0
    4.8398    1.0419   -2.0199 H   0  0  0  0  0
    3.2118    0.9216   -2.7488 H   0  0  0  0  0
    2.6251   -3.0926    0.2019 H   0  0  0  0  0
    6.1029   -1.4187   -4.7076 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID

>  <PubChem CID>
11845295

>  <Formula>
C8H10N2O2

>  <Molecular Weight>
166.180000

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

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCC2=C1NN=C2C(=O)O

>  <Isomeric SMILES>
CC1CCC2=C1NN=C2C(=O)O

>  <InChI Std. ID>
InChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)

>  <InChI Key>
NFQIURPKSWTDGP-UHFFFAOYSA-N

