Cas no 1190380-50-7 (4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole)

4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole is a heterocyclic compound featuring a nitro-substituted pyrazole core linked to a tetrahydropyran moiety. This structure imparts unique reactivity and stability, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The nitro group enhances electrophilic properties, facilitating further functionalization, while the tetrahydropyran ring contributes to improved solubility and metabolic stability. Its well-defined molecular framework allows for precise modifications, supporting the development of novel bioactive compounds. The compound is typically handled under controlled conditions due to its potential sensitivity. High-purity grades are available for research and industrial use, ensuring consistent performance in synthetic workflows.
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole structure
1190380-50-7 structure
Product Name:4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole
CAS No:1190380-50-7
MF:C8H11N3O3
MW:197.191241502762
CID:1059013
PubChem ID:59186296
Update Time:2025-11-02

4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
    • 4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole
    • 1190380-50-7
    • 4-Nitro-1-(tetrahydro-pyran-4-yl)-1H-pyrazole
    • 4-nitro-1-(oxan-4-yl)pyrazole
    • DTXSID101238629
    • EN300-170651
    • CS-0142553
    • 4-Nitro-1-(oxan-4-yl)-1H-pyrazole
    • 4-nitro-1-tetrahydropyran-4-yl-pyrazole
    • SCHEMBL1559387
    • WNGOPKGWJNIWCU-UHFFFAOYSA-N
    • DB-316673
    • Inchi: 1S/C8H11N3O3/c12-11(13)8-5-9-10(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2
    • InChI Key: WNGOPKGWJNIWCU-UHFFFAOYSA-N
    • SMILES: O1CCC(CC1)N1C=C(C=N1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.08004122g/mol
  • Monoisotopic Mass: 197.08004122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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: 0.4
  • Topological Polar Surface Area: 72.9?2

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Additional information on 4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole

Comprehensive Overview of 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7)

The compound 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7) is a specialized heterocyclic organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structure, combining a nitro-substituted pyrazole ring with a tetrahydro-2H-pyran-4-yl moiety, makes it a versatile intermediate for synthesizing bioactive compounds. Researchers are particularly interested in its potential applications in drug discovery, given its ability to modulate biological targets such as enzymes and receptors.

In recent years, the demand for nitro-substituted heterocycles like 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole has surged due to their role in developing novel therapeutics. For instance, this compound has been explored in the context of anti-inflammatory and antimicrobial agents, aligning with the growing need for new treatments against drug-resistant pathogens. Its pyrazole core is a common pharmacophore in many FDA-approved drugs, further highlighting its relevance in medicinal chemistry.

From a synthetic chemistry perspective, CAS No. 1190380-50-7 serves as a valuable building block for constructing more complex molecules. The tetrahydro-2H-pyran-4-yl group enhances solubility and bioavailability, a critical factor in drug design. This feature resonates with current trends in AI-driven drug discovery, where computational models prioritize compounds with optimal pharmacokinetic properties. As such, this compound is frequently discussed in forums focusing on fragment-based drug design and lead optimization.

Another area of interest is the compound's potential in agrochemical innovation. The nitro group in 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole can undergo selective reductions or displacements, enabling the creation of derivatives with herbicidal or pesticidal activity. This aligns with global efforts to develop sustainable crop protection solutions, a hot topic in agricultural research. Companies investing in green chemistry are particularly keen on such intermediates due to their efficiency and scalability.

Analytical characterization of CAS No. 1190380-50-7 typically involves advanced techniques like NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods ensure the compound meets the stringent quality standards required for pharmaceutical applications. Researchers often search for synthetic protocols and spectral data for this compound, underscoring its importance in laboratory settings.

In summary, 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7) is a multifaceted compound with broad applicability in drug development and agrochemical research. Its structural features and reactivity profile make it a cornerstone in modern synthetic chemistry, addressing pressing challenges in healthcare and agriculture. As scientific inquiries into heterocyclic chemistry and small-molecule therapeutics continue to expand, this compound is poised to remain a focal point of innovation.

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