Ethyl 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS Registry Number®

852691-03-3

CAS Name

Ethyl 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Molecular Formula

C11H15F3N2O2

Molecular Mass

264.24

Cite this Page

Ethyl 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=852691-03-3 (retrieved 2024-11-01) (CAS RN: 852691-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H15F3N2O2/c1-5-18-9(17)7-6-15-16(10(2,3)4)8(7)11(12,13)14/h6H,5H2,1-4H3

InChIKey

InChIKey=SBLLZGMBYZIVGM-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=C(C(OCC)=O)C=NN1C(C)(C)C

Canonical SMILES

O=C(OCC)C=1C=NN(C1C(F)(F)F)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-, ethyl ester
  • Ethyl 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • 1-tert-Butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • Ethyl 1-tert-butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS