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

C₅H₅F₃N₂OCAS 122431-37-2166.10 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

122431-37-2

SMILES

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

InChIKey

WQRHIGNAKDJJKN-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,9H,1H3

Weigh it out

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

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

Same formula

1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol119022-51-4 2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one1481-02-3

Elsewhere

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