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CAS 110821-40-4

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Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

Description:
Ethyl 5-bromo-1-(4-chlorophenyl)-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 a bromine atom at the 5-position and a 4-chlorophenyl group at the 1-position, contributing to its unique reactivity and potential biological activity. The ethyl ester functional group at the 4-carboxylate position enhances its solubility in organic solvents and may influence its pharmacokinetic properties. Typically, compounds of this nature are investigated for their potential applications in medicinal chemistry, particularly as agrochemicals or pharmaceuticals, due to their ability to interact with biological targets. The presence of halogen substituents often enhances the lipophilicity and biological activity of the molecule. Additionally, the compound's structure suggests potential for various chemical reactions, including nucleophilic substitutions and coupling reactions, making it a valuable intermediate in synthetic organic chemistry. Overall, its unique structural features position it as a compound of interest in both research and application contexts.
Formula:C12H10BrClN2O2
InChI:InChI=1S/C12H10BrClN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChI key:InChIKey=BWALRXGXGVEXDX-UHFFFAOYSA-N
SMILES:BrC=1N(N=CC1C(OCC)=O)C2=CC=C(Cl)C=C2
Synonyms:
  • Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
  • 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(4-chlorophenyl)-, ethyl ester
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