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CAS 1035235-11-0

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1H-Pyrazole-3-carboxylic acid, 5-(2-bromophenyl)-, methyl ester

Description:
1H-Pyrazole-3-carboxylic acid, 5-(2-bromophenyl)-, methyl ester is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group and a methyl ester, indicating it can undergo hydrolysis to yield the corresponding acid. The presence of a 2-bromophenyl substituent introduces significant steric and electronic effects, potentially influencing its reactivity and biological activity. The compound is likely to exhibit moderate solubility in organic solvents due to its polar functional groups, while its molecular structure may allow for interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the bromine atom can enhance the compound's lipophilicity and may serve as a site for further chemical modifications. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.
Formula:C11H9BrN2O2
InChI:InChI=1S/C11H9BrN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14)
InChI key:InChIKey=FZYWALYUEMDSIG-UHFFFAOYSA-N
SMILES:BrC1=C(C=CC=C1)C2=CC(C(OC)=O)=NN2
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-(2-bromophenyl)-, methyl ester
  • Methyl 5-(2-bromophenyl)-1H-pyrazole-3-carboxylate
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