Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate

C₇H₇F₃N₂O₂CAS 155377-19-8208.14 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₇F₃N₂O₂
Molar mass: 208.14 g/mol
Exact mass: 208.0460 Da
logP: 1.61Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

155377-19-8

SMILES

CCOC(=O)C1=C(NN=C1)C(F)(F)F

InChIKey

VYXIHSAEOXPAEY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)

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Work with Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate

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

Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate154934-97-164 % similar Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate343-67-954 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-952 % similar Ethyl o-(trifluoromethyl)benzoate577-62-852 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-652 % similar Ethyl 4-trifluoromethylbenzoate583-02-851 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-551 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-451 % similar

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

Elsewhere

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