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CS-W001157 4
Total: USD 88.00

3-Methyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 40704-11-8

  • Cat. No. CS-D0839
  • Purity≥97%
  • MDL No.MFCD08443868

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

3-Methyl-1H-pyrazole-4-carboxylic acid|CS-D0839

Structure of 40704-11-8

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General Information

  • CAS No. 40704-11-8
  • Cat. No. CS-D0839
  • Purity ≥97%
  • MDL No. MFCD08443868
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.11
  • Synonym(s) 5-methyl-1H-pyrazole-4-carboxylic acid
  • SMILES O=C(C1=CNN=C1C)O

Description

3-Methyl-1H-pyrazole-4-carboxylic acid features a pyrazole core functionalized with a carboxylic acid at the 4-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.

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2006/74281 A2, 2006 ; Location in patent: Page/Page column 42 ; WO 2006/074281 A2
  • Route2
    • null|null
      121902-74-7
    • ~12%
    • In-stock
      3-Methyl-1H-pyrazole-4-carboxylic acid|CS-D0839
      40704-11-8

    References

    • Bajnati, Abdelilah; Hubert-Habart, Michel Bulletin de la Societe Chimique de France, 1988 , # 3 p. 540 - 547
  • Route3
    • In-stock
      5-Acetyluracil|CS-W020420
      6214-65-9
    • ~%
    • In-stock
      3-Methyl-1H-pyrazole-4-carboxylic acid|CS-D0839
      40704-11-8
    • null|null
      121902-74-7

    References

    • Bajnati, Abdelilah; Hubert-Habart, Michel Bulletin de la Societe Chimique de France, 1988 , # 3 p. 540 - 547

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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