-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0792   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  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 12  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
  3  2  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID> (BBL005228)
BBL005228

>  <SALTDATA> (BBL005228)
HCl

>  <Rotatable_Bonds> (BBL005228)
0

>  <logP> (BBL005228)
1.944

>  <PSA> (BBL005228)
54.7

>  <H_Donors> (BBL005228)
3

>  <H_Acceptors> (BBL005228)
0

>  <Number_of_rings> (BBL005228)
2

>  <NAME> (BBL005228)
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline

>  <Mol_Weight> (BBL005228)
201.27

>  <Mol_Formula> (BBL005228)
C12H15N3

>  <Smiles> (BBL005228)
Nc1ccc(cc1)Cc1c(C)n[nH]c1C

>  <CAS_Number> (BBL005228)
1030378-93-8

>  <Alternative_identifier> (BBL005228)
MFCD03848234

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