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CAS 1150163-94-2

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Ethyl 5-amino-1-(3-bromophenyl)-4-cyano-1H-pyrazole-3-carboxylate

Description:
Ethyl 5-amino-1-(3-bromophenyl)-4-cyano-1H-pyrazole-3-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 cyano group (-CN) and an amino group (-NH2) enhances its potential for various chemical reactions, including nucleophilic substitutions and coupling reactions. The 3-bromophenyl substituent introduces a bromine atom, which can serve as a site for further functionalization or as a leaving group in certain reactions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the compound's properties, such as melting point, solubility, and stability, would be influenced by its specific functional groups and overall molecular structure.
Formula:C13H11BrN4O2
InChI:InChI=1S/C13H11BrN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-4-8(14)6-9/h3-6H,2,16H2,1H3
InChI key:InChIKey=SPNROCVJFAVRHA-UHFFFAOYSA-N
SMILES:NC=1N(N=C(C(OCC)=O)C1C#N)C2=CC(Br)=CC=C2
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-amino-1-(3-bromophenyl)-4-cyano-, ethyl ester
  • Ethyl 5-amino-1-(3-bromophenyl)-4-cyano-1H-pyrazole-3-carboxylate
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