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CAS 476637-05-5

:

5-(tert-Butyl)-2-(3-nitrophenyl)-3-amino-2H-pyrazole

Description:
5-(tert-Butyl)-2-(3-nitrophenyl)-3-amino-2H-pyrazole is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a tert-butyl group enhances its hydrophobic properties, while the 3-nitrophenyl substituent introduces both electron-withdrawing characteristics and potential for further chemical reactivity. The amino group at the 3-position of the pyrazole ring contributes to its basicity and can participate in hydrogen bonding, influencing its solubility and reactivity in various chemical environments. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of nitro and amino functional groups may allow for further derivatization, expanding its utility in synthetic chemistry. Overall, this compound's unique structural features contribute to its potential applications in various fields, including drug discovery and materials science.
Formula:C13H16N4O2
InChI:InChI=1S/C13H16N4O2/c1-13(2,3)11-8-12(14)16(15-11)9-5-4-6-10(7-9)17(18)19/h4-8H,14H2,1-3H3
InChI key:InChIKey=FJUBBFVKESGGSK-UHFFFAOYSA-N
SMILES:NC=1N(N=C(C(C)(C)C)C1)C2=CC(N(=O)=O)=CC=C2
Synonyms:
  • 3-(1,1-Dimethylethyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
  • 3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-amine
  • 2-(3-Nitrophenyl)-5-tert-butyl-2H-pyrazol-3-yl-amine
  • 5-(tert-Butyl)-2-(3-nitrophenyl)-3-amino-2H-pyrazole
  • 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-(3-nitrophenyl)-
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