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CAS 1269291-10-2

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4-Bromo-1-(1,1-dimethylethyl)-5-phenyl-1H-pyrazole

Description:
4-Bromo-1-(1,1-dimethylethyl)-5-phenyl-1H-pyrazole is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a bromine atom at the 4-position and a bulky tert-butyl group at the 1-position contributes to its unique chemical properties, including increased lipophilicity and potential for specific interactions in biological systems. The phenyl group at the 5-position enhances its aromatic character, which can influence its reactivity and stability. This compound may exhibit interesting pharmacological activities due to its structural features, making it a candidate for research in medicinal chemistry. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of new therapeutic agents. Additionally, the presence of halogen and aromatic groups often indicates the potential for electrophilic substitution reactions, which can be exploited in further synthetic applications. As with many organic compounds, safety and handling precautions should be observed due to the presence of bromine and the potential for toxicity.
Formula:C13H15BrN2
InChI:InChI=1S/C13H15BrN2/c1-13(2,3)16-12(11(14)9-15-16)10-7-5-4-6-8-10/h4-9H,1-3H3
InChI key:InChIKey=XJPZALIOQKEUGQ-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C(=C(Br)C=N1)C2=CC=CC=C2
Synonyms:
  • 1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-5-phenyl-
  • 4-Bromo-1-(1,1-dimethylethyl)-5-phenyl-1H-pyrazole
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