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CAS 306936-65-2

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3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxaldehyde

Description:
3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxaldehyde is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a trifluoromethyl group (-CF3) on the phenyl ring significantly influences its electronic properties, enhancing its lipophilicity and potentially its biological activity. The aldehyde functional group (-CHO) at the 4-position of the pyrazole contributes to its reactivity, making it a useful intermediate in organic synthesis and medicinal chemistry. This compound is typically utilized in the development of pharmaceuticals and agrochemicals due to its ability to interact with various biological targets. Its molecular structure allows for diverse applications, including in the synthesis of more complex molecules. Additionally, the trifluoromethyl group is known to impart unique characteristics such as increased metabolic stability and altered pharmacokinetics. Overall, this compound exemplifies the importance of functional group manipulation in the design of bioactive molecules.
Formula:C11H7F3N2O
InChI:InChI=1S/C11H7F3N2O/c12-11(13,14)9-3-1-7(2-4-9)10-8(6-17)5-15-16-10/h1-6H,(H,15,16)
InChI key:InChIKey=PMKPJAJMBQBTKE-UHFFFAOYSA-N
SMILES:C(=O)C=1C(=NNC1)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • 1H-Pyrazole-4-carboxaldehyde, 3-[4-(trifluoromethyl)phenyl]-
  • 3-(4-Trifluoromethylphenyl)-4-pyrazolecarboxaldehyde
  • 3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxaldehyde
  • 5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
  • ethyl 3-tert-butyl-1-(4-fluorobenzyl)-1H-pyrazole-5-carboxylate
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