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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid

  • CAS No. 716362-12-8

  • Cat. No. CS-0254903
  • Molecule weight180.08
  • Purity≥96%
  • MDL No.None

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

4-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid|CS-0254903

Structure of 716362-12-8

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General Information

  • CAS No. 716362-12-8
  • Cat. No. CS-0254903
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂O₂
  • Molecular Weight 180.08
  • Synonym(s) 4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
  • SMILES O=C(C1=NNC=C1C(F)(F)F)O

Description

4-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid is a fluorinated heterocyclic building block featuring a carboxylic acid group at the 3-position and a trifluoromethyl substituent at the 4-position. This combination imparts enhanced metabolic stability, improved lipophilicity, and favorable electronic properties for drug discovery applications. The molecule integrates readily into bioactive scaffolds, particularly in kinase inhibitors and CNS-targeted therapeutics.

Application

4-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality facilitates direct derivatization or conjugation in peptide and small-molecule synthesis. The compound exhibits excellent bench stability and compatibility with common reaction conditions, making it a practical choice for iterative lead optimization and API intermediate development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.1267
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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