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CAS 1269440-49-4

:

1-[3-Iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]ethanone

Description:
1-[3-Iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]ethanone, with the CAS number 1269440-49-4, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of the iodo substituent at the 3-position of the pyrazole ring enhances its reactivity and potential applications in various chemical reactions. The compound also features an ethanone functional group, indicating the presence of a carbonyl group (C=O) adjacent to an ethyl group. This structure contributes to its potential use in organic synthesis and medicinal chemistry. The presence of the isopropyl group (1-methylethyl) adds steric bulk, which can influence the compound's biological activity and interaction with other molecules. Overall, this compound may exhibit interesting properties, making it a candidate for further research in fields such as drug development or agrochemicals. However, specific physical and chemical properties such as solubility, melting point, and reactivity would require empirical data for comprehensive characterization.
Formula:C8H11IN2O
InChI:InChI=1S/C8H11IN2O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3
InChI key:InChIKey=ALVXXWPPAVGXHP-UHFFFAOYSA-N
SMILES:C(C)(C)N1C=C(C(C)=O)C(I)=N1
Synonyms:
  • 1-[3-Iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]ethanone
  • Ethanone, 1-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]-
  • 1-[3-Iodo-1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one
  • 1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)ethanone
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