
 CHEMBL560254

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.1285    1.6198   -1.5741 C   0  0  0  0  0
    2.6420    1.7318   -1.4816 C   0  0  0  0  0
    3.1637    1.2628   -0.1190 C   0  0  0  0  0
    4.6169    1.4084   -0.0344 N   0  0  0  0  0
    5.4320    0.2351   -0.3686 C   0  0  0  0  0
    6.1866   -0.2593    0.8700 C   0  0  0  0  0
    7.0342   -1.4832    0.5623 C   0  0  0  0  0
    5.2132    2.6313    0.0473 C   0  0  0  0  0
    6.4877    2.8835   -0.2669 N   0  0  0  0  0
    6.6306    4.1998   -0.0696 N   0  0  0  0  0
    5.5080    4.8221    0.3898 C   0  0  0  0  0
    4.5702    3.8171    0.4847 C   0  0  0  0  0
    5.4011    6.2093    0.6826 C   0  0  0  0  0
    4.4321    6.8210    1.1035 O   0  0  0  0  0
    6.5628    6.8491    0.4267 O   0  0  0  0  0
    0.7815    1.9885   -2.5444 H   0  0  0  0  0
    0.6433    2.2147   -0.7933 H   0  0  0  0  0
    0.8046    0.5800   -1.4684 H   0  0  0  0  0
    2.9235    2.7753   -1.6633 H   0  0  0  0  0
    3.1013    1.1404   -2.2823 H   0  0  0  0  0
    2.8800    0.2135    0.0370 H   0  0  0  0  0
    2.6744    1.8150    0.6919 H   0  0  0  0  0
    6.1291    0.4609   -1.1852 H   0  0  0  0  0
    4.7955   -0.5775   -0.7425 H   0  0  0  0  0
    5.4735   -0.5027    1.6671 H   0  0  0  0  0
    6.8379    0.5297    1.2628 H   0  0  0  0  0
    6.4114   -2.3184    0.2274 H   0  0  0  0  0
    7.5765   -1.8020    1.4583 H   0  0  0  0  0
    7.7694   -1.2651   -0.2185 H   0  0  0  0  0
    7.5292    4.6293   -0.2663 H   0  0  0  0  0
    3.5505    3.9385    0.8247 H   0  0  0  0  0
    6.3524    7.7785    0.6614 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 31  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL560254

>  <PubChem CID>
11992592

>  <Formula>
C10H17N3O2

>  <Molecular Weight>
211.265000

>  <IUPAC Name>
3-(dipropylamino)-1H-pyrazole-5-carboxylic acid

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC)C1=NNC(=C1)C(=O)O

>  <Isomeric SMILES>
CCCN(CCC)C1=NNC(=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)9-7-8(10(14)15)11-12-9/h7H,3-6H2,1-2H3,(H,11,12)(H,14,15)

>  <InChI Key>
BXTCTDFOGVZXHP-UHFFFAOYSA-N

