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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 75815-75-7

  • Cat. No. CS-0498589
  • Purity≥98%
  • MDL No.None

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

1-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid|CS-0498589

Structure of 75815-75-7

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General Information

  • CAS No. 75815-75-7
  • Cat. No. CS-0498589
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇F₃N₂O₂
  • Molecular Weight 256.18
  • Synonym(s) 1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
  • SMILES O=C(C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1)O

Description

This pyrazole carboxylic acid features a trifluoromethyl-substituted phenyl ring, delivering enhanced electron-withdrawing character and metabolic stability. The conjugated system supports efficient coupling in peptide and macrocyclic synthesis, while the acidic proton enables salt formation for improved solubility in aqueous systems.

Application

1-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-4-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 aryl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates amide bond formation and conjugation. The compound exhibits excellent bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis campaigns in drug discovery.

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   55.12
  • LogP   2.5893
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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