Cas no 725746-81-6 (1-Isobutyl-1H-pyrazole)

1-Isobutyl-1H-pyrazole is a heterocyclic organic compound featuring a pyrazole ring substituted with an isobutyl group at the nitrogen position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and coordination chemistry. Its stability and reactivity make it suitable for nucleophilic substitutions and metal-ligand complexation. The isobutyl moiety enhances lipophilicity, improving solubility in organic solvents, which is advantageous for reaction optimization. Additionally, the compound serves as a key intermediate in the synthesis of biologically active molecules, including potential therapeutic agents. Its well-defined chemical properties ensure consistent performance in research and industrial processes.
1-Isobutyl-1H-pyrazole structure
1-Isobutyl-1H-pyrazole structure
Product Name:1-Isobutyl-1H-pyrazole
CAS No:725746-81-6
MF:C7H12N2
MW:124.183581352234
MDL:MFCD08558977
CID:3056980
PubChem ID:18769393
Update Time:2025-05-28

1-Isobutyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-methylpropyl)-1H-pyrazole
    • (2-methylpropyl)pyrazole;1-Isobutyl-1H-pyrazole;1-isobutylpyrazole;1-(2-methylpropyl)-1H-pyrazole;N-isobutylpyrazole;
    • E90141
    • DTXSID90596129
    • ALBB-032864
    • HGZORUNWJQFEJI-UHFFFAOYSA-N
    • AKOS003673815
    • 725746-81-6
    • MFCD08558977
    • DB-162637
    • STK351477
    • 1-Isobutyl-1H-pyrazole
    • Z431509688
    • EN300-117712
    • LS-12299
    • CS-0196114
    • 1H-Pyrazole, 1-(2-methylpropyl)-
    • N-isobutylpyrazole
    • SCHEMBL2162547
    • 1-(2-methylpropyl)pyrazole
    • AEB74681
    • DTXCID40546891
    • MDL： MFCD08558977
    • Inchi： 1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3
    • InChI Key： HGZORUNWJQFEJI-UHFFFAOYSA-N
    • SMILES： N1(C=CC=N1)CC(C)C

Computed Properties

  • Exact Mass: 124.10000
  • Monoisotopic Mass: 124.100048391 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 81
  • 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
  • Molecular Weight: 124.18
  • XLogP3: 0.9
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82000
  • LogP: 1.53910

1-Isobutyl-1H-pyrazole 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%

1-Isobutyl-1H-pyrazole Pricemore >>

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1-Isobutyl-1H-pyrazole Related Literature

Related Categories

Additional information on 1-Isobutyl-1H-pyrazole

Comprehensive Overview of 1-Isobutyl-1H-pyrazole (CAS No. 725746-81-6): Properties, Applications, and Industry Trends

1-Isobutyl-1H-pyrazole (CAS No. 725746-81-6) is a specialized heterocyclic compound gaining traction in pharmaceutical and agrochemical research due to its unique structural properties. As a derivative of pyrazole, this molecule features an isobutyl substituent, enhancing its lipophilicity and bioavailability—a critical factor in drug design. The compound’s CAS registry number (725746-81-6) ensures precise identification in global chemical databases, aligning with regulatory compliance needs.

Recent studies highlight 1-Isobutyl-1H-pyrazole as a versatile scaffold in medicinal chemistry. Its pyrazole core is known for binding to diverse biological targets, making it valuable for developing kinase inhibitors and anti-inflammatory agents. Researchers are particularly interested in its potential to address drug-resistant infections and chronic diseases, topics trending in PubMed and Google Scholar queries. The compound’s isobutyl group further optimizes metabolic stability, a hot topic in ADME (Absorption, Distribution, Metabolism, Excretion) studies.

In agrochemicals, 1-Isobutyl-1H-pyrazole derivatives are explored for their herbicidal and fungicidal activities. With the growing demand for sustainable crop protection solutions, this compound aligns with the industry’s shift toward eco-friendly pesticides. Patent filings indicate its use in formulations targeting resistant weed species, a frequent search term among agronomists.

Synthesis of 725746-81-6 typically involves cyclocondensation reactions, with recent optimizations focusing on green chemistry principles—another high-traffic keyword. Analytical techniques like HPLC and NMR ensure purity, critical for compliance with REACH and FDA guidelines. Suppliers often highlight these certifications to address buyer concerns about quality control and safety data sheets (SDS).

The market for 1-Isobutyl-1H-pyrazole is expanding, driven by R&D investments in precision medicine and smart farming. Industry reports correlate its demand with the rise of contract research organizations (CROs), a sector growing at 8% annually. For buyers, factors like bulk pricing, custom synthesis, and stable isotopes (e.g., deuterated versions) are key decision drivers.

Environmental considerations are also shaping its applications. As regulators phase out persistent organic pollutants (POPs), 725746-81-6 offers a degradable alternative. Computational modeling (in silico studies) predicts low ecotoxicity, a feature highlighted in ESG (Environmental, Social, Governance) reports—a trending search among investors.

In summary, 1-Isobutyl-1H-pyrazole (CAS No. 725746-81-6) bridges multiple scientific disciplines, from drug discovery to sustainable agriculture. Its evolving applications reflect broader trends like personalized therapeutics and climate-smart chemistry, ensuring its relevance in future innovations.

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