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CS-W001157 4
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1,4-Dimethyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 89202-89-1

  • Cat. No. CS-W006950
  • Purity≥97%
  • MDL No.MFCD19228348

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

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid|CS-W006950

Structure of 89202-89-1

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General Information

  • CAS No. 89202-89-1
  • Cat. No. CS-W006950
  • Purity ≥97%
  • MDL No. MFCD19228348
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) None
  • SMILES CN1C=C(C)C(=N1)C(O)=O

Description

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid features a pyrazole core with methyl groups at the 1- and 4-positions and a carboxylic acid at the 3-position. This configuration delivers enhanced solubility and stability under standard conditions, enabling straightforward integration into medicinal chemistry scaffolds and functionalized heterocycles.

Application

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry and process development. Its carboxylic acid functionality enables direct coupling reactions, while the pyrazole core provides metabolic stability and favorable pharmacokinetic properties. The methyl groups at C1 and C4 enhance solubility and offer orthogonal reactivity for downstream derivatization. This compound exhibits excellent bench stability, facilitates straightforward purification, and functions effectively in standard amide bond formation protocols.

Synthesis

  • Route1
    • ethyl 1,4-dimethylpyrazole-3-carboxylate|CS-0061606
      68809-65-4
    • ~92%
    • In-stock
      1,4-Dimethyl-1H-pyrazole-3-carboxylic acid|CS-W006950
      89202-89-1

    References

    • Huppatz; Phillips; Witrzens Agricultural and Biological Chemistry, 1984 , vol. 48, # 1 p. 45 - 50
  • Route2

    References

    • Huppatz; Phillips; Witrzens Agricultural and Biological Chemistry, 1984 , vol. 48, # 1 p. 45 - 50
  • Route3
    • 1-(1,4-Dimethyl-1h-pyrazol-3-yl)ethan-1-one|CS-0680382
      99644-93-6
    • ~%
    • In-stock
      1,4-Dimethyl-1H-pyrazole-3-carboxylic acid|CS-W006950
      89202-89-1

    References

    • Brain; Finar Journal of the Chemical Society, 1958 , p. 2435

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   55.12
  • LogP   0.42672
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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