3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole

C₇H₄F₇N₃O₂CAS 82633-69-0295.12 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₇H₄F₇N₃O₂
Molar mass: 295.12 g/mol
Exact mass: 295.0192 Da
logP: 2.92Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

82633-69-0

SMILES

CC1=C(C(=NN1)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]

InChIKey

UOFISFKBSXJEHZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F7N3O2/c1-2-3(17(18)19)4(16-15-2)5(8,9)6(10,11)7(12,13)14/h1H3,(H,15,16)

Weigh it out

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

Names and synonyms

1 names

3-Heptafluoropropyl-5-methyl-4-nitropyrazole

Work with 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole

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

3,5-Dimethyl-4-nitropyrazole14531-55-650 % similar 3-Methyl-5-nitro-1H-indazole40621-84-935 % similar 3-Methyl-6-nitro-1H-indazole6494-19-535 % similar 2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-434 % similar Musk tibetene145-39-132 % similar 4-Chloro-3-methyl-5-(trifluoromethyl)-1H-pyrazole235106-12-432 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-432 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook