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CAS 187998-45-4

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Ethyl 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylate

Description:
Ethyl 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a 4-bromophenyl substituent introduces significant lipophilicity and potential for biological activity, while the methyl group at the 5-position of the pyrazole ring can influence its steric and electronic properties. The carboxylate moiety enhances the compound's ability to participate in various chemical reactions, including esterification and nucleophilic substitutions. This compound is of interest in medicinal chemistry and material science due to its potential applications in drug development and as a building block for synthesizing more complex molecules. Its unique structure may also confer specific pharmacological properties, making it a subject of research in the field of organic chemistry.
Formula:C13H13BrN2O2
InChI:InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3
InChI key:InChIKey=LMHJVIOBYOFILY-UHFFFAOYSA-N
SMILES:CC=1N(N=CC1C(OCC)=O)C2=CC=C(Br)C=C2
Synonyms:
  • 1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • Ethyl 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylate
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-, ethyl ester
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