1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol

C₅H₅F₃N₂OCAS 119022-51-4166.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅F₃N₂O
Molar mass: 166.10 g/mol
Exact mass: 166.0354 Da
logP: 0.73Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

119022-51-4

SMILES

CN1C(=CC(=O)N1)C(F)(F)F

InChIKey

QEHXHKNBIGEWIH-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)

Weigh it out

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

Work with 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol

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

5-Amino-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester89088-56-230 % similar

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

Same formula

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-2 2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one1481-02-3

Elsewhere

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