1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

C₁₃H₁₀F₄N₂O₂CAS 175137-38-9302.23 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₁₃H₁₀F₄N₂O₂
Molar mass: 302.23 g/mol
Exact mass: 302.0678 Da
logP: 3.21Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

175137-38-9

SMILES

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

InChIKey

WTDWKMYSOQGLIX-UHFFFAOYSA-N

InChI

InChI=1S/C13H10F4N2O2/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-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester
Ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

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Similar compounds

Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-279 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-478 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-051 % similar Ethyl 4-fluorobenzoate451-46-748 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-046 % similar Ethyl 2,4-difluorobenzoate108928-00-346 % similar Ethyl o-(trifluoromethyl)benzoate577-62-846 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-646 % similar

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

Same formula

1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione830346-47-9

Elsewhere

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