CAS 129768-30-5: 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester

Description: 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester, identified by CAS number 129768-30-5, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of a trifluoromethyl group at the 5-position enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its synthesis often involves the reaction of appropriate pyrazole derivatives with trifluoromethylating agents and subsequent esterification. Due to its unique structure, it may exhibit various chemical behaviors, including potential applications in agrochemicals or medicinal chemistry, particularly in the development of new therapeutic agents. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₇H₇F₃N₂O₂

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

InChI key: InChIKey=AKFFNTKRAYWFRN-UHFFFAOYSA-N

SMILES: O=C(OCC)C1=NNC(=C1)C(F)(F)F

Synonyms:

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

1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester

CAS: 129768-30-5

• Formula: C₇H₇F₃N₂O₂
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 208.1379

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

CAS: 129768-30-5

• Purity: 95.0%
• Color and Shape: Solid
• Molecular weight: 208.13999938964844

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

CAS: 129768-30-5

• Formula: C₇H₇F₃N₂O₂
• Purity: 97%
• Color and Shape: off-white solid
• Molecular weight: 208.14g/mol

5-(Trifluoromethyl)-1H-Pyrazole-3-carboxylic Acid Ethyl Ester

CAS: 129768-30-5

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• Formula: C₇H₇F₃N₂O₂
• Purity: Min. 95%
• Molecular weight: 208.14 g/mol