Cas no 2098080-38-5 ((1-cyclobutyl-1H-pyrazol-4-yl)methanol)

(1-Cyclobutyl-1H-pyrazol-4-yl)methanol is a versatile heterocyclic compound featuring a pyrazole core substituted with a cyclobutyl group at the 1-position and a hydroxymethyl group at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The hydroxymethyl group offers functionalization potential for further derivatization, while the cyclobutyl moiety enhances steric and electronic properties, influencing binding affinity in target molecules. Its stability under standard conditions and compatibility with common organic reactions enhance its utility in medicinal chemistry, particularly in the development of bioactive compounds. The compound is typically supplied with high purity, ensuring reproducibility in research and industrial applications.
(1-cyclobutyl-1H-pyrazol-4-yl)methanol structure
2098080-38-5 structure
Product Name:(1-cyclobutyl-1H-pyrazol-4-yl)methanol
CAS No:2098080-38-5
MF:C8H12N2O
MW:152.193681716919
CID:5726146
PubChem ID:122238830
Update Time:2025-06-15

(1-cyclobutyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • EN300-698051
    • (1-cyclobutyl-1H-pyrazol-4-yl)methanol
    • (1-cyclobutylpyrazol-4-yl)methanol
    • AKOS040765879
    • starbld0047678
    • 2098080-38-5
    • F1905-0522
    • Inchi: 1S/C8H12N2O/c11-6-7-4-9-10(5-7)8-2-1-3-8/h4-5,8,11H,1-3,6H2
    • InChI Key: DCGDZNFLGKXDRW-UHFFFAOYSA-N
    • SMILES: OCC1C=NN(C=1)C1CCC1

Computed Properties

  • Exact Mass: 152.094963011g/mol
  • Monoisotopic Mass: 152.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 136
  • 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: 0.2
  • Topological Polar Surface Area: 38?2

(1-cyclobutyl-1H-pyrazol-4-yl)methanol Pricemore >>

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Additional information on (1-cyclobutyl-1H-pyrazol-4-yl)methanol

Comprehensive Overview of (1-cyclobutyl-1H-pyrazol-4-yl)methanol (CAS No. 2098080-38-5): Properties, Applications, and Industry Insights

(1-cyclobutyl-1H-pyrazol-4-yl)methanol (CAS No. 2098080-38-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This compound, characterized by a cyclobutyl ring fused to a pyrazole core with a hydroxymethyl substituent, serves as a versatile intermediate in synthetic chemistry. Its molecular formula, C8H12N2O, and precise stereochemistry make it valuable for designing bioactive molecules targeting enzymes and receptors.

Recent trends in drug discovery highlight the growing demand for heterocyclic building blocks like (1-cyclobutyl-1H-pyrazol-4-yl)methanol. Researchers frequently search for "pyrazole derivatives in medicinal chemistry" or "CAS 2098080-38-5 solubility," reflecting its relevance in optimizing drug candidates. The compound’s balanced lipophilicity, attributed to the cyclobutyl moiety, enhances membrane permeability—a critical factor in CNS drug development, as evidenced by its mention in patents related to kinase inhibitors.

From a synthetic perspective, 2098080-38-5 is often explored for "click chemistry modifications" due to its reactive hydroxyl group. This aligns with the industry’s shift toward modular synthesis, where users frequently query "functionalization of pyrazole alcohols." Its stability under mild conditions also makes it suitable for high-throughput screening libraries, a hotspot in AI-driven drug design workflows.

Environmental and regulatory considerations further elevate the compound’s profile. Unlike traditional solvents, (1-cyclobutyl-1H-pyrazol-4-yl)methanol exhibits low ecotoxicity, addressing queries like "green chemistry alternatives for intermediates." Analytical methods such as HPLC-UV and LC-MS (often searched as "CAS 2098080-38-5 detection") confirm its purity, which exceeds 98% in commercial batches.

In agrochemical applications, the pyrazole scaffold’s herbicidal activity has spurred interest in "2098080-38-5 structure-activity relationships." Patent filings reveal derivatives of this compound as potential safeners, mitigating crop damage from herbicides—a topic trending in sustainable agriculture forums.

Future prospects for (1-cyclobutyl-1H-pyrazol-4-yl)methanol include its integration into PROTACs (Proteolysis-Targeting Chimeras), a breakthrough technology dominating "targeted protein degradation" searches. Its modular design aligns with the need for E3 ligase binders, positioning it as a key player in next-generation therapeutics.

For suppliers and researchers, technical queries like "scaling up 2098080-38-5 synthesis" or "pyrazole methanol storage conditions" underscore its industrial viability. Proper handling in inert atmospheres and amber glass containers ensures stability, as documented in SDS reports.

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