3,5-Bis(trifluoromethyl)pyrazole

C₅H₂F₆N₂CAS 14704-41-7204.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₂F₆N₂
Molar mass: 204.08 g/mol
Exact mass: 204.0122 Da
logP: 2.45Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

14704-41-7

SMILES

C1=C(NN=C1C(F)(F)F)C(F)(F)F

InChIKey

NGDDUAYSWPUSLX-UHFFFAOYSA-N

InChI

InChI=1S/C5H2F6N2/c6-4(7,8)2-1-3(13-12-2)5(9,10)11/h1H,(H,12,13)

Weigh it out

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

Work with 3,5-Bis(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

5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-070 % similar 3-Methyl-5-(trifluoromethyl)pyrazole10010-93-257 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-147 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-445 % similar 3-(Trifluoromethyl)pyrazole20154-03-441 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-138 % similar 5-(Trifluoromethyl)-1H-imidazole33468-69-837 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-536 % similar

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

Elsewhere

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