methyl 3-nitro-1H-pyrazole-4-carboxylate

methyl 3-nitro-1H-pyrazole-4-carboxylate

CAS: 1798715-16-8

Formula: C5H5N3O4

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

IUPAC: methyl 3-nitro-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C5H5N3O4/c1-12-5(9)3-2-6-7-4(3)8(10)11/h2H,1H3,(H,6,7)

Composition: C (35.10%), H (2.95%), N (24.56%), O (37.40%)

Molar Mass: 171.112

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.028005653
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WIDBAXLHOTZXJE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.4
Topological Polar Surface Area	98.12
Polarizability	13.75
Ring Count	1
Rotatable Bond Count	3

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