4-Chloro-3-methyl-5-(trifluoromethyl)-1H-pyrazole

C₅H₄ClF₃N₂CAS 235106-12-4184.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₄ClF₃N₂
Molar mass: 184.55 g/mol
Exact mass: 184.0015 Da
logP: 2.39Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

235106-12-4

SMILES

Cc1[nH]nc(C(F)(F)F)c1Cl

InChIKey

KNTOBPVSOYISFT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

1H-Pyrazole, 4-chloro-3-methyl-5-(trifluoromethyl)-
4-Chloro-3-methyl-5-trifluoromethylpyrazole
4-Chloro-5-methyl-3-(trifluoromethyl)pyrazole
4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Work with 4-Chloro-3-methyl-5-(trifluoromethyl)-1H-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-Methyl-5-(trifluoromethyl)pyrazole10010-93-233 % similar 2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-932 % similar 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole82633-69-032 % similar 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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