1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester

C8H9F3N2O2CAS 111493-74-4222.17 g/mol

Open in Covalent MOL file
OONNFFF
Alkyl halideEster

Properties

Molecular formula
C8H9F3N2O2
Molar mass
222.17 g/mol
Exact mass
222.0616 Da
logP
1.62Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
111493-74-4
SMILES
CCOC(=O)c1cn(C)nc1C(F)(F)F
InChIKey
ZZEXDJGNURSJOF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-4-13(2)12-6(5)8(9,10)11/h4H,3H2,1-2H3

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Names and synonyms

6 names
  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, ethyl ester
  • Ethyl 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylate
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  • Ethyl 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylate
  • Ethyl 3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
  • Ethyl 3-(trifluoromethyl)-1-methyl-7H-pyrazole-4-carboxylate

Work with 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester

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Similar compounds

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-263 % similar Ethyl 3-difluoromethyl-1-methyl-4-pyrazole carboxylate141573-95-762 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid113100-53-157 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-555 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-653 % similar Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate149771-09-551 % similar Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate155377-19-850 % similar Ethyl o-(trifluoromethyl)benzoate577-62-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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