Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

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

  • CAS No. 543739-84-0

  • Cat. No. CS-W017236
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-W017236

Structure of 543739-84-0

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 543739-84-0
  • Cat. No. CS-W017236
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂O₂
  • Molecular Weight 180.09
  • Synonym(s) 1H-pyrazole-4-carboxylic acid, 5-(trifluoromethyl)-
  • SMILES O=C(C1=C(C(F)(F)F)NN=C1)O

Description

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid features a strongly electron-deficient pyrazole core paired with a potent trifluoromethyl group, enhancing metabolic stability and membrane permeability. This scaffold integrates readily into bioactive molecules, enabling efficient access to pharmaceutical candidates with improved pharmacokinetic profiles.

Application

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct amidation or esterification. The compound exhibits excellent bench stability and is compatible with diverse reaction conditions, making it ideal for iterative synthesis campaigns and API development.

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/54974 A2, 2004 ; Location in patent: Page 452 ; WO 2004/054974 A2
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 77, # 1 p. 47 - 56

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

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

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 543739-84-0 sigma543739-84-0 manufacturer543739-84-0 price543739-84-0 structure543739-84-0 SDSbuy 543739-84-0543739-84-0 supplier543739-84-0 uses543739-84-0 molecular weightprice of 543739-84-0543739-84-0 chemical name formula of 543739-84-0
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label