3-nitro-1H-pyrazole-4-carbonitrile

3-nitro-1H-pyrazole-4-carbonitrile

CAS: 39205-87-3

Formula: C4H2N4O2

SMILES: [O-][N+](=O)C1=NNC=C1C#N

IUPAC: 3-nitro-1H-pyrazole-4-carbonitrile

InChI: InChI=1S/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7)

Composition: C (34.79%), H (1.46%), N (40.57%), O (23.17%)

Molar Mass: 138.086

Atom Count: 12

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	138.01777532
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BHWGVDFLAUBWLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.1
Topological Polar Surface Area	95.61
Polarizability	11.07
Ring Count	1
Rotatable Bond Count	1

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