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

C5H5F3N2OCAS 122431-37-2166.10 g/mol

Open in Covalent MOL file
NONHFFF
Alkyl halide

Properties

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

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Similar compounds

1,3-Dimethyl-5-hydroxypyrazole5203-77-050 % similar 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester51985-95-644 % similar 6-(Trifluoromethyl)uracil672-45-739 % similar 2-(Trifluoromethyl)-4-hydroxypyridine170886-13-235 % similar 3,5-Bis(trifluoromethyl)pyrazole14704-41-734 % similar 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-034 % similar 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-132 % similar 2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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