1-Nitropyrazole

C₃H₃N₃O₂CAS 7119-95-1113.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃N₃O₂
Molar mass: 113.08 g/mol
Exact mass: 113.0225 Da
logP: -0.08Crippen estimate
Polar surface area: 61.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7119-95-1

SMILES

C1=CN(N=C1)[N+](=O)[O-]

InChIKey

TYNVOQYGXDUHRX-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1H-Pyrazole, 1-nitro-

Work with 1-Nitropyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1H-pyrazole930-36-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitropyrazole2075-46-9 3-Nitropyrazole26621-44-3 Nitroimidazole3034-38-6 1,2,4-Triazine-3,5(2H,4H)-dione461-89-2 1,2,4-Triazole-3-carboxylic acid4928-87-4 2-Nitroimidazole527-73-1

Elsewhere

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