-ISIS-  08251614582D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.3917   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.5417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.9292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1083   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.5417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5708    3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19 21  2  0  0  0  0
 20 11  2  0  0  0  0
 21 20  1  0  0  0  0
  5  4  1  0  0  0  0
 10 19  1  0  0  0  0
M  CHG  2   3   1  13  -1
M  END
>  <ID> (STL403695)
STL403695

>  <Rotatable_Bonds> (STL403695)
2

>  <logP> (STL403695)
0.361

>  <PSA> (STL403695)
135.83

>  <H_Donors> (STL403695)
3

>  <H_Acceptors> (STL403695)
4

>  <Number_of_rings> (STL403695)
2

>  <NAME> (STL403695)
1-methyl-4-{[(3-nitrophenyl)carbonyl]amino}-1H-pyrazole-5-carboxamide

>  <Mol_Weight> (STL403695)
289.25

>  <Mol_Formula> (STL403695)
C12H11N5O4

>  <Smiles> (STL403695)
O=C(c1cccc(c1)[N+](=O)[O-])Nc1cnn(c1C(=O)N)C

$$$$