-ISIS-  08091621332D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.3208    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.4292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3208   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  3  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  3  7  2  0  0  0  0
M  END
>  <ID> (BBL000380)
BBL000380

>  <Rotatable_Bonds> (BBL000380)
0

>  <logP> (BBL000380)
-0.226

>  <PSA> (BBL000380)
41.61

>  <H_Donors> (BBL000380)
0

>  <H_Acceptors> (BBL000380)
0

>  <Number_of_rings> (BBL000380)
1

>  <NAME> (BBL000380)
1-methyl-1H-pyrazole-5-carbonitrile

>  <Mol_Weight> (BBL000380)
107.11

>  <Mol_Formula> (BBL000380)
C5H5N3

>  <Smiles> (BBL000380)
Cn1nccc1C#N

>  <CAS_Number> (BBL000380)
66121-72-0

>  <Alternative_identifier> (BBL000380)
MFCD09701708

$$$$