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CS-W001157 4
Total: USD 88.00

3-Methyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 696-22-0

  • Cat. No. CS-0166799
  • Molecule weight126.11
  • Purity≥97%
  • MDL No.None

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

3-Methyl-1H-pyrazole-5-carboxylic acid|CS-0166799

Structure of 696-22-0

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General Information

  • CAS No. 696-22-0
  • Cat. No. CS-0166799
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.11
  • Synonym(s) None
  • SMILES O=C(C1=CC(C)=NN1)O

Description

3-Methyl-1H-pyrazole-5-carboxylic acid features a pyrazole core functionalized with a carboxylic acid at the 5-position and a methyl group at the 3-position, delivering enhanced solubility and metabolic stability. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitors and heterocyclic drug candidates.

Application

3-Methyl-1H-pyrazole-5-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds via standard coupling and cyclization protocols. Its carboxylic acid functionality facilitates direct amidation, esterification, and derivatization under routine conditions, while the methyl group enhances metabolic stability. The molecule exhibits good bench stability and is compatible with common protecting group strategies, making it well-suited for medicinal chemistry campaigns and process-scale applications.

Synthesis

  • Route1
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      67-51-6
    • ~%
    • In-stock
      3-Methyl-1H-pyrazole-5-carboxylic acid|CS-0166799
      696-22-0

    References

    • US4282361 A1, ;
  • Route2
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      135351-18-7
    • ~%
    • In-stock
      3-Methyl-1H-pyrazole-5-carboxylic acid|CS-0166799
      696-22-0

    References

    • Tetrahedron Letters, , vol. 43, # 28 p. 5005 - 5008
  • Route3
    • null|null
      686-92-0
    • ~%
    • In-stock
      3-Methyl-1H-pyrazole-5-carboxylic acid|CS-0166799
      696-22-0

    References

    • Tetrahedron Letters, , vol. 43, # 28 p. 5005 - 5008

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

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   0.41632
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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