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CAS 256414-73-0

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1-(1,1-Dimethylethyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole

Description:
1-(1,1-Dimethylethyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole, with the CAS number 256414-73-0, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a tert-butyl group (1,1-dimethylethyl) and a phenyl group attached to the pyrazole ring, contributing to its hydrophobic properties. The presence of a trifluoromethyl group enhances its lipophilicity and can influence its biological activity. Typically, compounds like this may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry and agrochemical applications. The molecular structure suggests potential interactions with various biological targets, and its unique substituents may affect its reactivity and stability. As with many organic compounds, the physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the substance. Safety data should be consulted for handling and usage, as the trifluoromethyl group can impart specific toxicological characteristics.
Formula:C14H15F3N2
InChI:InChI=1S/C14H15F3N2/c1-13(2,3)19-9-11(10-7-5-4-6-8-10)12(18-19)14(15,16)17/h4-9H,1-3H3
InChI key:InChIKey=BPBDALHSWAYTMH-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C(=CN(C(C)(C)C)N1)C2=CC=CC=C2
Synonyms:
  • 1-(1,1-Dimethylethyl)-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
  • 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-phenyl-3-(trifluoromethyl)-
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