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CAS 1150164-40-1

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Ethyl 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1H-pyrazole-4-carboxylate

Description:
Ethyl 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1H-pyrazole-4-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a pyridine moiety. This compound features a carboxylate functional group, contributing to its potential as a bioactive molecule. The presence of chlorine and fluorine substituents on the pyridine ring enhances its lipophilicity and may influence its biological activity. Ethyl esters, like this compound, are often used in medicinal chemistry due to their ability to undergo hydrolysis, releasing the corresponding carboxylic acid. The compound's unique arrangement of functional groups suggests potential applications in pharmaceuticals, particularly in the development of agrochemicals or therapeutic agents. Its molecular interactions, solubility, and stability are influenced by the substituents on the aromatic rings, making it a subject of interest for further research in drug design and synthesis. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function in organic chemistry.
Formula:C12H11ClFN3O2
InChI:InChI=1S/C12H11ClFN3O2/c1-3-19-12(18)9-6-16-17(7(9)2)11-10(14)4-8(13)5-15-11/h4-6H,3H2,1-2H3
InChI key:InChIKey=DMRULTFEXODORU-UHFFFAOYSA-N
SMILES:CC=1N(N=CC1C(OCC)=O)C2=C(F)C=C(Cl)C=N2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-, ethyl ester
  • Ethyl 1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1H-pyrazole-4-carboxylate
  • 1-(5-Chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
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