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CS-W001157 4
Total: USD 88.00

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 54367-66-7

  • Cat. No. CS-0063952
  • Purity≥97%
  • MDL No.MFCD02089694

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

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid|CS-0063952

Structure of 54367-66-7

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General Information

  • CAS No. 54367-66-7
  • Cat. No. CS-0063952
  • Purity ≥97%
  • MDL No. MFCD02089694
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅ClN₂O₂
  • Molecular Weight 160.56
  • Synonym(s) 5-chloro-1-methylpyrazole-4-carboxylic acid
  • SMILES O=C(C1=C(Cl)N(C)N=C1)O

Description

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid features a chlorinated pyrazole core with a methyl group at the 1-position and a carboxylic acid at the 4-position, enabling direct incorporation into bioactive molecules. The electron-deficient heterocycle facilitates coupling reactions under standard conditions, while the carboxylic acid provides a versatile handle for amide formation and derivatization in medicinal chemistry.

Application

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based pharmaceuticals and agrochemicals. The molecule combines a chlorinated pyrazole core with a carboxylic acid functional group, offering high stability and compatibility with standard coupling reactions. Its defined regiochemistry facilitates predictable transformations, while the methyl and chloro substituents provide orthogonal handles for further derivatization. Ideal for bench-scale synthesis and process development.

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.7717
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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