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CS-W001157 4
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1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

  • CAS No. 128694-63-3

  • Cat. No. CS-W007107
  • Purity≥97%
  • MDL No.MFCD02090853

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

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid|CS-W007107

Structure of 128694-63-3

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General Information

  • CAS No. 128694-63-3
  • Cat. No. CS-W007107
  • Purity ≥97%
  • MDL No. MFCD02090853
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂O₂
  • Molecular Weight None
  • Synonym(s) 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid
  • SMILES CN1N=C(C=C1C(O)=O)C(F)(F)F

Description

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the carboxylic acid moiety enables direct conjugation or derivatization. This scaffold integrates readily into bioactive molecules for medicinal chemistry applications.

Application

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid serves as a versatile building block for bioactive heterocycles, offering enhanced metabolic stability and lipophilicity due to the trifluoromethyl group. Its carboxylic acid functionality enables direct amidation, esterification, or coupling reactions, facilitating integration into pharmaceutical scaffolds. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Nissan Chemical Industries, Ltd. Patent: US5053517 A1, 1991 ;
  • Route2

    References

    • WO2007/43677 A1, ; Page/Page column 486-487 ;
  • Route3
    • null|null
      124-38-9
    • In-stock
      1-Methyl-3-(trifluoromethyl)-1H-pyrazole|CS-W010973
      154471-65-5
    • ~71%
    • In-stock
      1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid|CS-W007107
      128694-63-3

    References

    • Schlosser, Manfred; Volle, Jean-Noel; Leroux, Frederic; Schenk, Kurt European Journal of Organic Chemistry, 2002 , # 17 p. 2913 - 2920

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-H312-H315-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.1371
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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