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CAS 852691-03-3

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

Description:
Ethyl 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a trifluoromethyl group, which enhances its lipophilicity and biological activity, making it of interest in various fields, including agrochemicals and pharmaceuticals. The presence of the ethyl ester group contributes to its solubility and reactivity, allowing for potential applications in synthesis and as a building block in organic chemistry. The tert-butyl substituent on the pyrazole ring provides steric hindrance, which can influence the compound's interaction with biological targets. Additionally, the trifluoromethyl group is known to impart unique electronic properties, often enhancing the compound's potency and selectivity in biological systems. Overall, this compound's unique structural features make it a subject of interest for research and development in medicinal chemistry and related fields.
Formula:C11H15F3N2O2
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
InChI key:InChIKey=SBLLZGMBYZIVGM-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(OCC)=O)C=NN1C(C)(C)C
Synonyms:
  • Ethyl 1-tert-butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • 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
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