3-Methyl-5-(trifluoromethyl)pyrazole

C₅H₅F₃N₂CAS 10010-93-2150.10 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

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

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-Bis(trifluoromethyl)pyrazole14704-41-757 % similar 3,5-Dimethylpyrazole67-51-646 % similar 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-045 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-144 % similar 3-Chloro-5-methyl-1H-pyrazole15953-45-443 % similar 3-Bromo-5-methyl-1H-pyrazole57097-81-143 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-442 % similar 3-Methyl-5-phenylpyrazole3347-62-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-3-(trifluoromethyl)-1H-pyrazole154471-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook