AC1MOA2K

2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile

Also Known As: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]propanedinitrile|AG-205/33677056|2-((5-hydroxy-3-methyl-1H-pyrazol-4-yl){3-nitrophenyl}methyl)malononitrile|[(3-methyl-5-oxo(2-pyrazolin-4-yl))(3-nitrophenyl)methyl]methane-1,1-dicarboni trile|[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]propanedinitrile|2-((3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(3-nitrophenyl)methyl)malononitrile

Molecular Formula	C14H11N5O3
Molecular Weight	297.08618 g/mol
LogP	1.46366
Topological Polar Surface Area	132.18 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	297.08618
Monoisotopic Mass	297.08618
Heavy Atoms	22
Complexity	729.58057

Chemical Identifiers

CAS Number	89607-51-2
SMILES	CC1=NNC(=O)C1C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N