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CAS 1197232-22-6

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Ethyl 1-[(4-bromophenyl)methyl]-1H-pyrazole-4-carboxylate

Description:
Ethyl 1-[(4-bromophenyl)methyl]-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of the ethyl ester group contributes to its solubility in organic solvents, making it useful in various chemical applications. The 4-bromophenyl substituent enhances its potential for biological activity, as halogenated aromatic compounds often exhibit unique interactions in medicinal chemistry. This compound may be of interest in the development of pharmaceuticals or agrochemicals due to its structural features that can influence biological pathways. Additionally, the presence of the carboxylate group suggests potential reactivity in esterification or amidation reactions. Its molecular structure allows for various synthetic modifications, which can lead to derivatives with altered properties. Overall, the compound's characteristics, including its molecular framework and substituents, position it as a valuable entity for further research in organic synthesis and medicinal chemistry.
Formula:C13H13BrN2O2
InChI:InChI=1S/C13H13BrN2O2/c1-2-18-13(17)11-7-15-16(9-11)8-10-3-5-12(14)6-4-10/h3-7,9H,2,8H2,1H3
InChI key:InChIKey=HLCQKXHFMQEXHS-UHFFFAOYSA-N
SMILES:C(N1C=C(C(OCC)=O)C=N1)C2=CC=C(Br)C=C2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-[(4-bromophenyl)methyl]-, ethyl ester
  • Ethyl 1-[(4-bromophenyl)methyl]-1H-pyrazole-4-carboxylate
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