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CS-W001157 4
Total: USD 88.00

1-Benzylpyrazole-4-carboxylic acid

  • CAS No. 401647-24-3

  • Cat. No. CS-0060527
  • Purity≥98%
  • MDL No.MFCD05864591

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

1-Benzylpyrazole-4-carboxylic acid|CS-0060527

Structure of 401647-24-3

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General Information

  • CAS No. 401647-24-3
  • Cat. No. CS-0060527
  • Purity ≥98%
  • MDL No. MFCD05864591
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) 1-Benzyl-1H-pyrazole-4-carboxylic acid
  • SMILES C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)O

Description

1-Benzylpyrazole-4-carboxylic acid features a pyrazole core functionalized with a benzyl group at the 1-position and a carboxylic acid at the 4-position, offering a rigid, electron-deficient heterocyclic scaffold. This structure enables direct integration into bioactive molecule design, particularly in kinase inhibitors and ligand development. The carboxylic acid facilitates conjugation via amide bond formation, while the benzyl moiety enhances lipophilicity and target engagement.

Application

1-Benzylpyrazole-4-carboxylic acid serves as a versatile scaffold for medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrazole-based bioactive molecules. Its carboxylic acid functionality facilitates direct coupling reactions, while the benzyl group enhances lipophilicity and metabolic stability. The compound exhibits excellent bench stability and compatibility with standard functional group transformations, making it well-suited for iterative synthesis and library development in drug discovery workflows.

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   1.6296
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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