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CS-W001157 4
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1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 288251-60-5

  • Cat. No. CS-0155485
  • Purity≥97%
  • MDL No.MFCD08556229

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

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid|CS-0155485

Structure of 288251-60-5

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General Information

  • CAS No. 288251-60-5
  • Cat. No. CS-0155485
  • Purity ≥97%
  • MDL No. MFCD08556229
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂O₂
  • Molecular Weight 194.11
  • Synonym(s) AKOS B030027
  • SMILES C1=NN(C=C1C(=O)O)CC(F)(F)F

Description

This pyrazole derivative features a trifluoromethyl-substituted ethyl group that enhances metabolic stability and lipophilicity. The carboxylic acid moiety enables direct conjugation or salt formation, facilitating integration into bioactive scaffolds. The electron-withdrawing trifluoroethyl group modulates electronic properties of the pyrazole ring, improving binding affinity in target-directed synthesis. This compound serves as a key building block for pharmaceutical intermediates and functional materials.

Application

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid serves as a versatile building block for medicinal chemistry and agrochemical research, enabling the incorporation of both a trifluoromethylated aliphatic chain and a polar pyrazole carboxylic acid moiety. Its stability under standard reaction conditions facilitates coupling with amines, alcohols, and other nucleophiles, while the electron-withdrawing trifluoromethyl group enhances metabolic stability and modulates pKa. The molecule functions effectively in parallel synthesis campaigns and offers predictable reactivity in amide formation, esterification, and derivatization workflows.

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.1436
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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