4-Bromo-3-(trifluoromethyl)-1H-pyrazole

C₄H₂BrF₃N₂CAS 19968-17-3214.97 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₄H₂BrF₃N₂
Molar mass: 214.97 g/mol
Exact mass: 213.9353 Da
Melting point: 108 °C
logP: 2.19Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

19968-17-3

SMILES

FC(F)(F)c1n[nH]cc1Br

InChIKey

JTHNMRUVJDWVMJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrF3N2/c5-2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10)

Weigh it out

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Names and synonyms

4 names

1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-
Pyrazole, 4-bromo-3-(trifluoromethyl)-
4-Bromo-3-trifluoromethyl-1H-pyrazole
4-Bromo-5-trifluoromethyl-1H-pyrazole

Work with 4-Bromo-3-(trifluoromethyl)-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

4-Bromo-3-methyl-1H-pyrazole13808-64-543 % similar 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-240 % similar 5-Bromo-4-(trifluoromethyl)-2-pyridinamine944401-56-336 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-635 % similar 7-Bromo-1H-indazole53857-58-235 % similar 5-Bromo-4-methyl-1H-indazole1082041-34-632 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-831 % similar 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-331 % similar

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

Elsewhere

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