-ISIS-  08091621332D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.4833    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <ID> (BBL008531)
BBL008531

>  <SALTDATA> (BBL008531)
2HBr

>  <Rotatable_Bonds> (BBL008531)
1

>  <logP> (BBL008531)
-0.352

>  <PSA> (BBL008531)
54.7

>  <H_Donors> (BBL008531)
3

>  <H_Acceptors> (BBL008531)
0

>  <Number_of_rings> (BBL008531)
1

>  <NAME> (BBL008531)
1-(5-methyl-1H-pyrazol-4-yl)methanamine

>  <Mol_Weight> (BBL008531)
111.15

>  <Mol_Formula> (BBL008531)
C5H9N3

>  <Smiles> (BBL008531)
Cc1c(CN)cn[nH]1

>  <Alternative_identifier> (BBL008531)
MFCD08685643

$$$$