3-Methyl-5-(trifluoromethyl)pyrazole

C₅H₅F₃N₂CAS 10010-93-2150.10 g/mol

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Properties

Molecular formula: C₅H₅F₃N₂
Molar mass: 150.10 g/mol
Exact mass: 150.0405 Da
logP: 1.74Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

10010-93-2

SMILES

CC1=CC(=NN1)C(F)(F)F

InChIKey

DLCHCAYDSKIFIN-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)

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Names and synonyms

1 names

1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-

Work with 3-Methyl-5-(trifluoromethyl)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-Dimethylpyrazole67-51-646 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-144 % similar 3-Methyl-5-phenylpyrazole3347-62-438 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-937 % similar 4-Chloro-3-methyl-5-(trifluoromethyl)-1H-pyrazole235106-12-433 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-133 % similar 2-Methyl-6-(trifluoromethyl)-3-pyridinamine383907-17-332 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-032 % similar

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

Elsewhere

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