Cas no 61226-19-5 (3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid)

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid is a pyrazole derivative with significant applications in organic synthesis and pharmaceutical research. Its structure features a carboxylic acid functional group at the 4-position, enhancing its reactivity as an intermediate for further derivatization. The phenyl and methyl substituents contribute to its stability and influence its physicochemical properties, making it suitable for use in heterocyclic chemistry and drug development. This compound is particularly valued for its role in synthesizing biologically active molecules, including potential therapeutic agents. Its well-defined molecular structure ensures consistent performance in reactions such as amide coupling or esterification, supporting its utility in medicinal chemistry and material science.
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid structure
61226-19-5 structure
Product Name:3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS No:61226-19-5
MF:C12H12N2O2
MW:216.235882759094
MDL:MFCD02656670
CID:513171
PubChem ID:612275
Update Time:2025-10-29

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
    • 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-phenyl-
    • 3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid
    • (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carboxylic acid
    • 1-Phenyl-3.5-dimethyl-pyrazol-carbonsaeure-(4)
    • 3,5-Dimethyl-1-phenyl-1H-pyrazol-4-carbonsaeure
    • 3,5-Dimethyl-1-phenyl-4-pyrazolcarbonsaeure
    • F2124-0021
    • ALBB-008814
    • AG-205/40992295
    • MFCD02656670
    • BBL011655
    • STK299214
    • DTXCID30297522
    • AS-68930
    • 61226-19-5
    • SR-01000536340
    • DTXSID00346450
    • SR-01000536340-1
    • CCG-251665
    • SCHEMBL2938583
    • 3,5-Dimethyl-1-Phenyl-1h-Pyrazole-4-CarboxylicAcid
    • 3,5-Dimethyl-1-phenyl-pyrazole-4-carboxylic acid
    • AKOS000263893
    • 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR
    • H11439
    • 1H-Pyrazole-4-carboxylicacid,3,5-dimethyl-1-phenyl-
    • Z56943811
    • EN300-06526
    • DB-072911
    • MDL： MFCD02656670
    • Inchi： 1S/C12H12N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
    • InChI Key： LPYTYYLNGJGJGW-UHFFFAOYSA-N
    • SMILES： CC1C(C(=O)O)=C(C)N(C2C=CC=CC=2)N=1

Computed Properties

  • Exact Mass: 216.09000
  • Monoisotopic Mass: 215.082053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 258
  • 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: 3.1
  • Topological Polar Surface Area: 58

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 202℃
  • Boiling Point: 387.7°C at 760 mmHg
  • Flash Point: 188.2°C
  • PSA: 55.12000
  • LogP: 2.18730
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid Security Information

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid Related Literature

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Additional information on 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid

Comprehensive Overview of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS No. 61226-19-5)

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS No. 61226-19-5) is a versatile organic compound widely utilized in pharmaceutical research, agrochemical development, and material science. Its unique pyrazole core structure, combined with a carboxylic acid functional group, makes it a valuable intermediate for synthesizing bioactive molecules. The compound's phenyl and methyl substitutions enhance its stability and reactivity, enabling applications in drug design and catalysis. Researchers frequently explore its potential as a building block for heterocyclic compounds, which are pivotal in modern medicinal chemistry.

In recent years, the demand for 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid has surged due to its role in developing anti-inflammatory agents and antimicrobial drugs. Its mechanism of action often involves modulating enzyme activity or interacting with biological targets, making it a hotspot for drug discovery projects. Additionally, its derivatives are investigated for their potential in crop protection, addressing global concerns about sustainable agriculture and food security. The compound's CAS No. 61226-19-5 is frequently searched in academic databases, reflecting its relevance in cutting-edge research.

The synthesis of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid typically involves condensation reactions, followed by oxidation steps to introduce the carboxylic acid moiety. Advanced techniques like microwave-assisted synthesis and green chemistry approaches are gaining traction to improve yield and reduce environmental impact. These innovations align with the growing emphasis on sustainable chemical processes, a topic highly prioritized by industries and regulatory bodies worldwide.

From an analytical perspective, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid is characterized using techniques such as NMR spectroscopy, HPLC, and mass spectrometry. These methods ensure purity and confirm structural integrity, critical for applications in high-precision formulations. The compound's solubility in organic solvents like DMSO and ethanol further broadens its utility in laboratory settings.

Beyond pharmaceuticals, this compound is explored in material science for designing functional polymers and coordination complexes. Its ability to act as a ligand for metal ions opens doors to catalytic systems used in renewable energy research, such as hydrogen storage and carbon capture. Such interdisciplinary applications highlight its significance in addressing climate change challenges, a key concern for modern researchers.

In summary, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS No. 61226-19-5) stands at the intersection of innovation and practicality. Its multifaceted applications—from life sciences to green technology—underscore its importance in advancing scientific and industrial progress. As research continues to uncover new potentials, this compound remains a focal point for next-generation solutions.

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