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CAS 1208081-18-8

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1-(3-Bromophenyl)-1H-pyrazole-4-carbonitrile

Description:
1-(3-Bromophenyl)-1H-pyrazole-4-carbonitrile is a chemical compound characterized by its pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of a bromophenyl group at the 1-position and a cyano group at the 4-position contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential for interactions in biological systems, making it of interest for research in pharmaceuticals, particularly in the development of new therapeutic agents. The bromine substituent can enhance the compound's lipophilicity and influence its biological activity. Additionally, the cyano group can participate in various chemical reactions, making this compound versatile for further synthetic modifications. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 1-(3-Bromophenyl)-1H-pyrazole-4-carbonitrile represents a significant structure in the field of organic and medicinal chemistry.
Formula:C10H6BrN3
InChI:InChI=1S/C10H6BrN3/c11-9-2-1-3-10(4-9)14-7-8(5-12)6-13-14/h1-4,6-7H
InChI key:InChIKey=WNHKJPZZKLEFOE-UHFFFAOYSA-N
SMILES:C(#N)C1=CN(N=C1)C2=CC(Br)=CC=C2
Synonyms:
  • 1-(3-Bromophenyl)-1H-pyrazole-4-carbonitrile
  • 1H-Pyrazole-4-carbonitrile, 1-(3-bromophenyl)-
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