chempirical

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

C11H6ClF3N2OCAS 175137-14-1274.63 g/mol

Open in Covalent MOL file
OClNNFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C11H6ClF3N2O
Molar mass
274.63 g/mol
Exact mass
274.0121 Da
logP
3.27Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175137-14-1
SMILES
O=C(Cl)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIKey
FSZPLNSWCMTQRJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H6ClF3N2O/c12-10(18)8-6-16-17(9(8)11(13,14)15)7-4-2-1-3-5-7/h1-6H

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Names and synonyms

3 names
  • 1H-Pyrazole-4-carbonyl chloride, 1-phenyl-5-(trifluoromethyl)-
  • 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
  • 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carbonyl chloride

Work with 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

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-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-767 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-259 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-653 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-748 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-447 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid142818-03-945 % similar 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-945 % similar 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-342 % similar

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

Elsewhere

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