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5-[4-(Trifluoromethyl)phenyl]-1h-pyrazole

  • CAS No. 362601-71-6

  • Cat. No. CS-0126520
  • Purity≥98%
  • MDL No.MFCD01569436

*For research and further manufacturing use only, not for direct human use.

5-[4-(Trifluoromethyl)phenyl]-1h-pyrazole|CS-0126520

Structure of 362601-71-6

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General Information

  • CAS No. 362601-71-6
  • Cat. No. CS-0126520
  • Purity ≥98%
  • MDL No. MFCD01569436
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₃N₂
  • Molecular Weight 212.17
  • Synonym(s) 3-[4-(Trifluoromethyl)Phenyl]-1H-Pyrazole
  • SMILES FC(C1=CC=C(C2=CC=NN2)C=C1)(F)F

Description

5-[4-(Trifluoromethyl)phenyl]-1H-pyrazole features a trifluoromethyl-substituted phenyl group attached to the pyrazole core, imparting enhanced electron-withdrawing character and metabolic stability. This configuration supports efficient integration into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and receptor modulators. The compound exhibits robust bench stability and compatibility with standard synthetic transformations.

Application

5-[4-(Trifluoromethyl)phenyl]-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl-substituted aryl group enhances metabolic stability and lipophilicity, while the pyrazole core provides a robust hydrogen-bonding scaffold. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 15 p. 3540 - 3546
  • Route2
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    • In-stock
      5-[4-(Trifluoromethyl)phenyl]-1h-pyrazole|CS-0126520
      362601-71-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 15 p. 3540 - 3546
  • Route3

    References

    • Molecules, , vol. 16, # 11 p. 9340 - 9356

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   3.0955
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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