chempirical

3-Nitropyrazole

C3H3N3O2CAS 26621-44-3113.08 g/mol

Open in Covalent MOL file
ON+O−NHN
Nitro

Properties

Molecular formula
C3H3N3O2
Molar mass
113.08 g/mol
Exact mass
113.0225 Da
logP
0.32Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
26621-44-3
SMILES
O=[N+]([O-])c1cc[nH]n1
InChIKey
MZRUFMBFIKGOAL-UHFFFAOYSA-N
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazole, 3-nitro-
  • Pyrazole, 3-nitro-
  • 3-Nitro-1H-pyrazole
  • 5-Nitropyrazole
  • 5-Nitro-1H-pyrazole

Work with 3-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

3-Nitro-1,2,4-triazole24807-55-445 % similar 5-Methyl-2-nitropyridine1074-38-044 % similar 4-Methyl-2-nitropyridine18368-71-343 % similar 1,4-Dinitrobenzene100-25-441 % similar 5-Bromo-2-nitropyridine39856-50-340 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-440 % similar 4-Nitro-1H-indazole2942-40-739 % similar 7-Nitroindazole2942-42-939 % similar

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

Same formula

4-Nitropyrazole2075-46-9 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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