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CAS 3968-40-9

:

1-(1-phenyl-1H-pyrazol-4-yl)ethanone

Description:
1-(1-phenyl-1H-pyrazol-4-yl)ethanone, with the CAS number 3968-40-9, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a phenyl group attached to the pyrazole, contributing to its aromatic properties. The ethanone functional group indicates the presence of a ketone, which is characterized by a carbonyl group (C=O) bonded to a carbon atom. The presence of both the pyrazole and the ketone functional group suggests potential reactivity, particularly in nucleophilic addition reactions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its solubility and stability can vary depending on the solvent and environmental conditions. Additionally, the compound's molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can influence its physical properties and potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C11H10N2O
InChI:InChI=1/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
SMILES:CC(=O)c1cnn(c1)c1ccccc1
Synonyms:
  • ethanone, 1-(1-phenyl-1H-pyrazol-4-yl)-
  • 1-(1-Phenyl-1H-pyrazol-4-yl)ethanone
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