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CAS 1218791-05-9

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5-(1,1-Dimethylethyl)-3-iodo-1H-pyrazole

Description:
5-(1,1-Dimethylethyl)-3-iodo-1H-pyrazole is an organic compound characterized by its pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of a 1,1-dimethylethyl group, also known as a tert-butyl group, contributes to its hydrophobic characteristics and steric bulk, influencing its reactivity and interactions with other molecules. The iodine substituent at the 3-position of the pyrazole ring introduces significant electronegativity, which can affect the compound's chemical behavior, including its reactivity in nucleophilic substitution reactions. This compound may exhibit properties typical of halogenated organic compounds, such as increased lipophilicity and potential bioactivity. It is often utilized in synthetic organic chemistry and may serve as an intermediate in the synthesis of more complex molecules or as a building block in pharmaceutical development. Safety and handling precautions should be observed due to the presence of iodine and the potential for reactivity associated with halogenated compounds.
Formula:C7H11IN2
InChI:InChI=1S/C7H11IN2/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H,9,10)
InChI key:InChIKey=QLPPZOPSXKIOCZ-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(I)=NN1
Synonyms:
  • 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-iodo-
  • 5-(1,1-Dimethylethyl)-3-iodo-1H-pyrazole
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