-ISIS-  08251614582D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9167   -0.1542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4375   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -0.1167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6458   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
  5  4  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <ID> (STK352620)
STK352620

>  <SALTDATA> (STK352620)
2HCl

>  <Rotatable_Bonds> (STK352620)
4

>  <logP> (STK352620)
-0.626

>  <PSA> (STK352620)
90.76

>  <H_Donors> (STK352620)
3

>  <H_Acceptors> (STK352620)
1

>  <Number_of_rings> (STK352620)
2

>  <NAME> (STK352620)
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

>  <Mol_Weight> (STK352620)
248.29

>  <Mol_Formula> (STK352620)
C11H16N6O

>  <Smiles> (STK352620)
CCn1cc(c(n1)C(=O)NCc1cnn(c1)C)N

$$$$