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CAS 142818-02-8

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1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Description:
1-(Tert-butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The tert-butyl group contributes to its hydrophobic properties, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The carboxylic acid functional group provides acidic properties, making it soluble in polar solvents and reactive in various chemical reactions. This compound is often studied for its potential applications in pharmaceuticals and agrochemicals, particularly due to the presence of the trifluoromethyl group, which is known to impart unique biological activities. Its molecular structure allows for various interactions with biological targets, making it a subject of interest in medicinal chemistry. Additionally, the compound's stability and reactivity can be influenced by the presence of the bulky tert-butyl group, which can affect its conformational flexibility and steric hindrance in chemical reactions. Overall, this compound exemplifies the interplay between structure and function in organic chemistry.
Formula:C9H11F3N2O2
InChI:InChI=1/C9H11F3N2O2/c1-8(2,3)14-6(9(10,11)12)5(4-13-14)7(15)16/h4H,1-3H3,(H,15,16)
InChI key:InChIKey=LBPZUNLSYYEDFB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(C(C)(C)C)N=CC1C(O)=O
Synonyms:
  • 1-(1,1-Dimethylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-
  • 1-tert-Butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
  • 1-tert-butyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid
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