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CS-W001157 4
Total: USD 88.00

1-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 1174305-81-7

  • Cat. No. CS-0129562
  • Purity≥98%
  • MDL No.MFCD11558118

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

1-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0129562

Structure of 1174305-81-7

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General Information

  • CAS No. 1174305-81-7
  • Cat. No. CS-0129562
  • Purity ≥98%
  • MDL No. MFCD11558118
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄F₂N₂O₂
  • Molecular Weight 162.09
  • Synonym(s) None
  • SMILES O=C(C1=CN(C(F)F)N=C1)O

Description

This difluoromethyl-substituted pyrazole carboxylic acid features a polar, electron-deficient heterocyclic core paired with a moisture-tolerant difluoromethyl group. It integrates readily into bioisosteric replacements and serves as a key scaffold in medicinal chemistry for modulating metabolic stability and membrane permeability.

Application

1-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable difluoromethyl group adjacent to a pyrazole core. Its carboxylic acid functionality facilitates direct coupling reactions and salt formation, while the difluoromethyl moiety enhances lipophilicity and bioavailability. The compound exhibits good bench stability and compatibility with standard synthetic transformations, making it suitable for the construction of diverse heterocyclic scaffolds and API intermediates.

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-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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