Cas no 879996-66-4 (3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid)

3-(4-Methylphenyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a pyrazole core substituted with a 4-methylphenyl group at the 3-position. This compound serves as a versatile intermediate in organic synthesis and pharmaceutical research, particularly in the development of bioactive molecules. Its structural framework allows for further functionalization, making it valuable for constructing more complex heterocyclic systems. The presence of both the carboxylic acid and pyrazole moieties enhances its utility in metal coordination chemistry and as a building block for drug discovery. The methylphenyl substitution contributes to improved lipophilicity, which can influence solubility and binding properties in target applications.
3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid structure
879996-66-4 structure
Product Name:3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid
CAS No:879996-66-4
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD07357449
CID:1919245
PubChem ID:12189267
Update Time:2025-05-19

3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 3-(4-methylphenyl)-
    • 5-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
    • 3-(p-tolyl)-1H-Pyrazole-4-carboxylicacid
    • SCHEMBL16974002
    • BS-3391
    • MFCD07357449
    • 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
    • AKOS000303510
    • EN300-25652
    • 5-p-tolyl-1h-pyrazole-4-carboxylic acid
    • 3-(p-tolyl)-1H-Pyrazole-4-carboxylic acid
    • 3-p-Tolyl-1H-pyrazole-4-carboxylic acid
    • 879996-66-4
    • STK945083
    • LH0003
    • 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid
    • MDL: MFCD07357449
    • Inchi: 1S/C11H10N2O2/c1-7-2-4-8(5-3-7)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
    • InChI Key: PKGDMHCUUNZVGS-UHFFFAOYSA-N
    • SMILES: OC(C1C=NNC=1C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 202.074227566g/mol
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 66?2

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Additional information on 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid

Comprehensive Overview of 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid (CAS No. 879996-66-4)

3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid (CAS No. 879996-66-4) is a specialized organic compound widely recognized for its versatile applications in pharmaceutical research, agrochemical development, and material science. This compound, characterized by its pyrazole-carboxylic acid backbone and 4-methylphenyl substituent, has garnered significant attention due to its unique structural properties and potential biological activities. Researchers and industries are increasingly exploring its role in drug discovery, particularly in targeting enzymes and receptors associated with inflammatory and metabolic disorders.

The molecular structure of 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid features a pyrazole ring fused with a carboxylic acid group, which enhances its reactivity and binding affinity. This makes it a valuable intermediate in synthesizing more complex molecules, such as heterocyclic derivatives and bioactive scaffolds. Recent studies highlight its potential as a precursor for anti-inflammatory agents and antioxidant compounds, aligning with the growing demand for novel therapeutic solutions in precision medicine.

In the context of green chemistry and sustainable synthesis, 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid has been investigated for its compatibility with eco-friendly reaction conditions. Researchers are optimizing its production using catalytic methods and solvent-free techniques, addressing the global push for reduced environmental impact in chemical manufacturing. This aligns with trends in ESG (Environmental, Social, and Governance) compliance, a hot topic among investors and regulatory bodies.

From an analytical perspective, advanced techniques like HPLC, NMR spectroscopy, and mass spectrometry are employed to characterize 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid and ensure high purity standards. Its stability under various pH conditions and thermal properties are critical for formulation scientists working on drug delivery systems. These attributes make it a subject of interest in pharmacokinetics and formulation optimization studies.

The compound’s relevance extends to material science, where its aromatic-pyrazole structure contributes to the development of organic semiconductors and coordination polymers. With the rise of flexible electronics and IoT devices, such materials are pivotal for next-generation technologies. This interdisciplinary appeal underscores the importance of CAS No. 879996-66-4 in both academic and industrial research.

Frequently asked questions about 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid include its solubility profile, synthetic routes, and commercial availability. Suppliers often provide technical data sheets detailing its storage conditions and handling precautions, ensuring safe utilization in laboratories. As the demand for high-purity intermediates grows, this compound remains a staple in the toolkit of synthetic chemists.

In summary, 3-(4-methylphenyl)-1H-pyrazole-4-carboxylic Acid (CAS No. 879996-66-4) exemplifies the intersection of innovation and practicality in modern chemistry. Its applications span drug discovery, sustainable synthesis, and advanced materials, making it a focal point for researchers addressing contemporary challenges in science and technology.

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