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CAS 895042-70-3

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1-(3-Chlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine

Description:
1-(3-Chlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine, with the CAS number 895042-70-3, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 3-chlorophenyl group and a tert-butyl group (1,1-dimethylethyl) attached to the pyrazole structure, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the chlorophenyl group can influence its reactivity and potential biological activity, making it of interest in medicinal chemistry and drug development. The amine functional group may also participate in hydrogen bonding, affecting its interactions in various chemical environments. Overall, this compound's structural features suggest potential applications in pharmaceuticals, particularly in the development of compounds targeting specific biological pathways.
Formula:C13H16ClN3
InChI:InChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChI key:InChIKey=IWCLOZVCLBLBQX-UHFFFAOYSA-N
SMILES:NC=1N(N=C(C(C)(C)C)C1)C2=CC(Cl)=CC=C2
Synonyms:
  • 1-(3-Chlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine
  • 3-tert-Butyl-1-(3-chlorophenyl)-1H-pyrazol-5-amine
  • 1H-Pyrazol-5-amine, 1-(3-chlorophenyl)-3-(1,1-dimethylethyl)-
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