Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

C₁₃H₁₀ClF₃N₂O₂CAS 112055-36-4318.68 g/mol

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Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₁₃H₁₀ClF₃N₂O₂
Molar mass: 318.68 g/mol
Exact mass: 318.0383 Da
Melting point: 51–53 °C
logP: 3.72Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

112055-36-4

SMILES

CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

InChIKey

AXOBLWLBBFCXOG-UHFFFAOYSA-N

InChI

InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3

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Names and synonyms

2 names

1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
1-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

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Similar compounds

1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-978 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-278 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-662 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-050 % similar Ethyl 2,5-dichlorobenzoate35112-27-748 % similar 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-14-147 % similar Ethyl 4-chlorobenzoate7335-27-547 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-045 % similar

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

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