chempirical

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

C11H5Cl2F3N2OCAS 175137-19-6309.07 g/mol

Open in Covalent MOL file
NNOClFFFCl
Acyl halideAlkyl halideAryl halide

Properties

Molecular formula
C11H5Cl2F3N2O
Molar mass
309.07 g/mol
Exact mass
307.9731 Da
logP
3.92Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175137-19-6
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)Cl)C(F)(F)F)Cl
InChIKey
NEJFCXJQJOAJMO-UHFFFAOYSA-N
InChI
InChI=1S/C11H5Cl2F3N2O/c12-6-1-3-7(4-2-6)18-9(11(14,15)16)8(5-17-18)10(13)19/h1-5H

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Names and synonyms

1 names
  • 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride

Work with 1-(4-Chlorophenyl)-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-carbonyl chloride175137-14-176 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-671 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride175137-36-767 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-463 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-81-751 % similar 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid142818-03-946 % similar 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-946 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-245 % similar

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

Elsewhere

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