79256
  CDK     1112211142

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.0647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970    0.4202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468    2.5397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4 14  3  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7 10  1  0  0  0  0 
  7 14  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:183670

> <NAME>
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile

> <STAR>
2

> <IUPAC_NAME>
5-amino-1-phenylpyrazole-4-carbonitrile

> <FORMULA>
C10H8N4

> <MASS>
184.202

> <MONOISOTOPIC_MASS>
184.07490

> <CHARGE>
0

> <SMILES>
N1(N=CC(=C1N)C#N)C2=CC=CC=C2

> <INCHI>
InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2

> <INCHIKEY>
MAKQREKUUHPPIS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5334-43-0

> <CHEMIDPLUS>
5334-43-0

$$$$