3-nitro-1H-pyrazole

3-nitro-1H-pyrazole

CAS: 26621-44-3

Formula: C3H3N3O2

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

IUPAC: 3-nitro-1H-pyrazole

InChI: InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)

Composition: C (31.87%), H (2.67%), N (37.16%), O (28.30%)

Molar Mass: 113.076

Atom Count: 11

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	113.022526349
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MZRUFMBFIKGOAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	26.38
Topological Polar Surface Area	71.82
Polarizability	9.2
Ring Count	1
Rotatable Bond Count	1

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