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CS-W001157 4
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3-(1H-Pyrazol-3-yl)benzoic acid

  • CAS No. 850375-11-0

  • Cat. No. CS-0199654
  • Purity≥98%
  • MDL No.MFCD09860594

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

3-(1H-Pyrazol-3-yl)benzoic acid|CS-0199654

Structure of 850375-11-0

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General Information

  • CAS No. 850375-11-0
  • Cat. No. CS-0199654
  • Purity ≥98%
  • MDL No. MFCD09860594
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.19
  • Synonym(s) 3-(1H-Pyrazol-5-yl)benzoic acid
  • SMILES O=C(O)C1=CC=CC(=C1)C2=NNC=C2

Description

This pyrazole-functionalized benzoic acid integrates a heteroaromatic pyrazolyl group with a carboxylic acid handle, enabling direct conjugation in medicinal chemistry scaffolds. The electron-rich pyrazole moiety enhances hydrogen bonding capacity and modulates lipophilicity, while the ortho-arranged functional groups facilitate intramolecular interactions. Designed for modular synthesis applications, this compound serves as a key building block in bioactive molecule development.

Application

3-(1H-Pyrazol-3-yl)benzoic acid serves as a versatile building block for bioactive heterocycles, enabling direct integration of pyrazole and benzoic acid moieties in medicinal chemistry campaigns. Its carboxylic acid functionality facilitates amide coupling, esterification, and metal-catalyzed transformations, while the pyrazole ring provides hydrogen bonding capacity and metabolic stability. The compound exhibits excellent bench stability and is readily purified by recrystallization or flash chromatography, making it well-suited for high-throughput synthesis and API development workflows.

Safety Information

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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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.7749
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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