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CAS 885950-26-5

:

Ethyl 1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

Description:
Ethyl 1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate, identified by its CAS number 885950-26-5, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a carboxylate functional group, contributing to its potential as a bioactive molecule. The presence of the ethyl ester group enhances its solubility in organic solvents, while the 4-fluorophenyl and methyl substituents may influence its biological activity and lipophilicity. Triazoles are known for their diverse applications, including in pharmaceuticals and agrochemicals, often exhibiting antifungal and antimicrobial properties. The specific arrangement of substituents in this compound may also affect its reactivity and interaction with biological targets. Overall, this compound's unique structure suggests potential utility in medicinal chemistry, although further studies would be necessary to fully elucidate its properties and applications.
Formula:C13H14FN3O2
InChI:InChI=1S/C13H14FN3O2/c1-3-19-13(18)12-9(2)17(16-15-12)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChI key:InChIKey=CQBHVJSCOQGDTL-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1
Synonyms:
  • Ethyl 1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
  • 1H-1,2,3-Triazole-4-carboxylic acid, 1-[(4-fluorophenyl)methyl]-5-methyl-, ethyl ester
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