Cas no 7231-31-4 (3-Propyl-1H-pyrazole)

3-Propyl-1H-pyrazole is a heterocyclic organic compound featuring a pyrazole ring substituted with a propyl group at the 3-position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and coordination chemistry. Its pyrazole core offers stability and reactivity, enabling functionalization for tailored derivatives. The propyl substituent enhances lipophilicity, influencing solubility and binding interactions in molecular design. This compound is valued for its role in developing biologically active molecules, including enzyme inhibitors and ligand frameworks. High purity grades ensure consistent performance in research and industrial processes. Proper handling under inert conditions is recommended due to potential sensitivity.
3-Propyl-1H-pyrazole structure
3-Propyl-1H-pyrazole structure
Product Name:3-Propyl-1H-pyrazole
CAS No:7231-31-4
MF:C6H10N2
MW:110.157001018524
MDL:MFCD01693435
CID:977071
PubChem ID:201990
Update Time:2025-06-08

3-Propyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 3-Propyl-1H-pyrazole
    • 5-propyl-1H-pyrazole
    • AS-77414
    • SCHEMBL344424
    • 3-Propylpyrazole
    • DTXSID30222657
    • Pyrazole, 3-propyl-
    • MFCD01693435
    • A25510
    • EN300-114409
    • 7231-31-4
    • SY147130
    • AMY6454
    • AKOS003673890
    • 4-23-00-00633 (Beilstein Handbook Reference)
    • FT-0688799
    • BRN 0001723
    • propylpyrazole
    • CS-0223228
    • DB-366608
    • MDL: MFCD01693435
    • Inchi: 1S/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)
    • InChI Key: QBNRQCHCKIIYGV-UHFFFAOYSA-N
    • SMILES: N1C(=CC=N1)CCC

Computed Properties

  • Exact Mass: 110.0845
  • Monoisotopic Mass: 110.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 63.5
  • 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: 1.4
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 28.68

3-Propyl-1H-pyrazole Pricemore >>

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3-Propyl-1H-pyrazole Related Literature

Additional information on 3-Propyl-1H-pyrazole

Comprehensive Overview of 3-Propyl-1H-pyrazole (CAS No. 7231-31-4): Properties, Applications, and Research Insights

3-Propyl-1H-pyrazole (CAS No. 7231-31-4) is a heterocyclic organic compound belonging to the pyrazole family, characterized by a five-membered ring structure containing two nitrogen atoms. This compound has garnered significant attention in pharmaceutical, agrochemical, and material science research due to its versatile chemical properties and potential applications. The 3-propyl substituent enhances its lipophilicity, making it a valuable intermediate in the synthesis of more complex molecules. Researchers frequently explore its role in drug discovery, particularly in designing kinase inhibitors and anti-inflammatory agents, aligning with the growing demand for targeted therapies in modern medicine.

In recent years, the scientific community has shown heightened interest in pyrazole derivatives, driven by their structural diversity and bioactivity. 3-Propyl-1H-pyrazole is no exception, with studies highlighting its potential as a building block for functional materials, such as organic semiconductors and liquid crystals. Its molecular structure allows for modifications that can tailor electronic properties, a feature highly sought after in the development of next-generation optoelectronic devices. This aligns with the global push toward sustainable technologies, where organic compounds play a pivotal role in reducing environmental impact.

From a synthetic chemistry perspective, CAS No. 7231-31-4 is often utilized in multicomponent reactions (MCRs), a trending topic in green chemistry due to their atom economy and efficiency. The compound’s reactivity with electrophiles and nucleophiles enables the creation of diverse heterocyclic scaffolds, addressing the need for novel chemical entities in high-throughput screening. Additionally, its stability under various conditions makes it a reliable candidate for industrial-scale applications, further fueling its demand in specialty chemical markets.

The pharmacological potential of 3-Propyl-1H-pyrazole is another area of intense exploration. Recent publications suggest its derivatives exhibit antimicrobial and antioxidant activities, resonating with the rising focus on combating antibiotic resistance and oxidative stress-related diseases. These findings have spurred collaborations between academia and industry to develop bioactive molecules with improved efficacy and safety profiles. Such efforts are frequently highlighted in scientific forums and patent filings, reflecting the compound’s commercial viability.

Environmental considerations also play a role in the discourse around 7231-31-4. As regulatory frameworks tighten, researchers are investigating the biodegradability and eco-toxicity of pyrazole-based compounds. Innovations in green synthesis methods, such as catalytic processes and solvent-free reactions, are being applied to minimize waste and energy consumption during the production of 3-Propyl-1H-pyrazole. This aligns with the broader industry shift toward sustainable manufacturing practices, a topic frequently searched by professionals in chemical engineering and environmental science.

In summary, 3-Propyl-1H-pyrazole (CAS No. 7231-31-4) represents a multifaceted compound with applications spanning pharmaceuticals, materials science, and green chemistry. Its adaptability and functionalizability make it a cornerstone in modern synthetic strategies, while ongoing research continues to uncover new dimensions of its utility. As interdisciplinary collaborations expand, this compound is poised to remain at the forefront of innovation, addressing both scientific challenges and societal needs.

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