CAS 1001519-11-4

Ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

Description:

Ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of a trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may exhibit moderate to high stability under standard conditions but can be sensitive to moisture and light. Its reactivity is influenced by the electron-withdrawing trifluoromethyl group, which can affect its interaction with nucleophiles. Ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate is often utilized in synthetic organic chemistry and may have applications in agrochemicals or medicinal chemistry due to its unique structural features. Safety data should be consulted for handling and storage guidelines.

Formula: C₉H₁₁F₃N₂O₂

InChI: InChI=1S/C9H11F3N2O2/c1-3-14-6(8(15)16-4-2)5-7(13-14)9(10,11)12/h5H,3-4H2,1-2H3

InChI key: InChIKey=JXBLALWEXAHXNR-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1N(CC)N=C(C(F)(F)F)C1

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-, ethyl ester
• Ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate