
 CHEMBL242344

 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.4935   -0.8015   -1.0276 C   0  0  0  0  0
   -2.9858   -2.2001   -0.6917 C   0  0  0  0  0
   -1.4628   -2.2836   -0.7816 C   0  0  0  0  0
   -0.7481   -1.2233    0.0769 C   0  0  0  0  0
   -1.2856    0.1752   -0.2817 C   0  0  0  0  0
   -2.8077    0.2719   -0.1881 C   0  0  0  0  0
   -0.8567   -1.4812    1.5967 C   0  0  0  0  0
   -0.0963   -2.6866    2.0420 C   0  0  0  0  0
    1.2485   -2.8856    2.3435 C   0  0  0  0  0
    1.3132   -4.2635    2.6901 C   0  0  0  0  0
    0.1254   -4.8692    2.6378 N   0  0  0  0  0
   -0.6835   -3.8911    2.2525 N   0  0  0  0  0
   -2.0064   -4.2125    2.1190 O   0  0  0  0  0
    2.3689   -1.8989    2.3074 C   0  0  0  0  0
    3.3853   -2.1498    3.4383 C   0  0  0  0  0
    3.2341   -1.8947    4.6232 O   0  0  0  0  0
    4.5193   -2.7683    3.0274 O   0  0  0  0  0
    3.0010   -1.9877    0.9736 N   0  0  0  0  0
   -3.3160   -0.5980   -2.0908 H   0  0  0  0  0
   -4.5774   -0.7553   -0.8725 H   0  0  0  0  0
   -3.4321   -2.9253   -1.3820 H   0  0  0  0  0
   -3.3207   -2.4794    0.3134 H   0  0  0  0  0
   -1.1309   -3.2929   -0.5175 H   0  0  0  0  0
   -1.1697   -2.1366   -1.8298 H   0  0  0  0  0
    0.3158   -1.2415   -0.1942 H   0  0  0  0  0
   -0.8279    0.9356    0.3619 H   0  0  0  0  0
   -0.9815    0.4167   -1.3088 H   0  0  0  0  0
   -3.1248    0.1801    0.8571 H   0  0  0  0  0
   -3.1321    1.2622   -0.5278 H   0  0  0  0  0
   -1.9037   -1.5592    1.9100 H   0  0  0  0  0
   -0.4538   -0.6135    2.1355 H   0  0  0  0  0
    2.1807   -4.8446    2.9812 H   0  0  0  0  0
   -1.8787   -5.1478    2.3521 H   0  0  0  0  0
    1.9976   -0.8762    2.4342 H   0  0  0  0  0
    5.0303   -2.8924    3.8561 H   0  0  0  0  0
    3.4660   -2.8959    0.9167 H   0  0  0  0  0
    3.7654   -1.3135    0.9430 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 33  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL242344

>  <PubChem CID>
16739377

>  <Formula>
C12H19N3O3

>  <Molecular Weight>
253.302000

>  <IUPAC Name>
2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid

>  <XlogP>
-0.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)CC2=C(C=NN2O)C(C(=O)O)N

>  <Isomeric SMILES>
C1CCC(CC1)CC2=C(C=NN2O)C(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C12H19N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h7-8,11,18H,1-6,13H2,(H,16,17)

>  <InChI Key>
CARPBCWTCPQWEH-UHFFFAOYSA-N

