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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 41680-34-6

  • Cat. No. CS-W006993
  • Purity≥98%
  • MDL No.MFCD00005239

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

3-Amino-1H-pyrazole-4-carboxylic acid|CS-W006993

Structure of 41680-34-6

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General Information

  • CAS No. 41680-34-6
  • Cat. No. CS-W006993
  • Purity ≥98%
  • MDL No. MFCD00005239
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) 3-Aminopyrazole-4-carboxylic acid
  • SMILES O=C(C1=CNN=C1N)O

Description

3-Amino-1H-pyrazole-4-carboxylic acid features a dual functional group motif—amino and carboxylic acid—positioned on a pyrazole core, enabling versatile conjugation in medicinal chemistry. The electron-rich heterocycle enhances reactivity in coupling reactions, while the acidic proton facilitates salt formation for improved solubility and handling. This scaffold serves as a key building block in bioactive molecule design.

Application

3-Amino-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based heterocycles through standard coupling and cyclization protocols. Its dual functionality—amine and carboxylic acid—supports diverse derivatization strategies, including amide formation, esterification, and metal-catalyzed cross-coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and API intermediate development.

Synthesis

  • Route1
    • Ethyl 3-amino-1H-pyrazole-4-carboxylate Allopurinol Impurity|CS-0229741
      6994-25-8
    • ~%
    • In-stock
      3-Amino-1H-pyrazole-4-carboxylic acid|CS-W006993
      41680-34-6

    References

    • Schmidt; Druey Helvetica Chimica Acta, 1956 , vol. 39, p. 986,988

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92
  • LogP   -0.3099
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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