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1-(difluoroMethyl)-1H-pyrazole-3-carboxylic acid

  • CAS No. 925179-02-8

  • Cat. No. CS-0105146
  • Purity≥97%
  • MDL No.None

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

1-(difluoroMethyl)-1H-pyrazole-3-carboxylic acid|CS-0105146

Structure of 925179-02-8

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General Information

  • CAS No. 925179-02-8
  • Cat. No. CS-0105146
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄F₂N₂O₂
  • Molecular Weight 162.09
  • Synonym(s) 1-Difluoromethyl-1H-pyrazole-3-carboxylic acid
  • SMILES OC(C1=NN(C=C1)C(F)F)=O

Description

This difluoromethyl-substituted pyrazole carboxylic acid features a strategically positioned electron-deficient fluorinated moiety that enhances metabolic stability and modulates lipophilicity. The rigid, planar heterocyclic core facilitates integration into bioactive scaffolds, while the carboxylic acid group enables direct conjugation or salt formation for improved solubility in medicinal chemistry applications.

Application

1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to fluorinated pharmaceutical scaffolds. Its difluoromethyl group enhances metabolic stability and modulates lipophilicity, while the pyrazole-carboxylic acid core facilitates coupling reactions and hydrogen bonding in medicinal chemistry applications. The compound exhibits good bench stability and is amenable to standard purification techniques, supporting reliable integration into multi-step syntheses.

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 : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.9764
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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