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

  • CAS No. 481065-92-3

  • Cat. No. CS-0206959
  • Purity≥97%
  • MDL No.MFCD03074319

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

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid|CS-0206959

Structure of 481065-92-3

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General Information

  • CAS No. 481065-92-3
  • Cat. No. CS-0206959
  • Purity ≥97%
  • MDL No. MFCD03074319
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂O₂
  • Molecular Weight 194.11
  • Synonym(s) 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA
  • SMILES CN1C(=CC(=N1)C(=O)O)C(F)(F)F

Description

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid features a trifluoromethyl group that enhances electron-withdrawing character and metabolic stability. This pyrazole scaffold integrates readily into bioactive molecules, offering improved lipophilicity and target engagement in medicinal chemistry applications. The carboxylic acid moiety enables conjugation or salt formation, facilitating purification and formulation under standard conditions.

Application

1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles via standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates amide bond formation and conjugation. The molecule exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • 3-(Furan-2-yl)-1-methyl-5-(trifluoromethyl)-1h-pyrazole|CS-0684358
      1024599-51-6
    • ~89%
    • In-stock
      1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid|CS-0206959
      481065-92-3

    References

    • Fustero, Santos; Roman, Raquel; Sanz-Cervera, Juan F.; Simon-Fuentes, Antonio; Cunat, Ana C.; Villanova, Salvador; Murguia, Marcelo Journal of Organic Chemistry, 2008 , vol. 73, # 9 p. 3523 - 3529
  • Route2
    • 4-Bromo-1-methyl-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid|CS-0262741
      497833-03-1
    • ~93%
    • In-stock
      1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid|CS-0206959
      481065-92-3

    References

    • Schlosser, Manfred; Volle, Jean-Noel; Leroux, Frederic; Schenk, Kurt European Journal of Organic Chemistry, 2002 , # 17 p. 2913 - 2920
  • Route3

    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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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