Cas no 1695978-27-8 (N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine)

N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine is a specialized organic compound featuring a pyrazole core with an ethenyl substituent and a hydroxylamine-functionalized methyl group. This structure imparts reactivity suitable for applications in synthetic chemistry, particularly as a building block for heterocyclic frameworks or as an intermediate in pharmaceutical and agrochemical research. The hydroxylamine moiety offers potential for further functionalization, enabling the synthesis of derivatives with tailored properties. Its pyrazole backbone contributes to stability and compatibility with diverse reaction conditions. The compound is of interest in medicinal chemistry for the development of bioactive molecules due to its balanced polarity and modular reactivity. Proper handling under inert conditions is recommended due to potential sensitivity.
N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine structure
1695978-27-8 structure
Product Name:N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine
CAS No:1695978-27-8
MF:C6H9N3O
MW:139.155160665512
CID:6203590
PubChem ID:106937175
Update Time:2025-11-06

N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine Chemical and Physical Properties

Names and Identifiers

    • N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine
    • 1695978-27-8
    • EN300-1849865
    • Inchi: 1S/C6H9N3O/c1-2-9-5-6(3-7-9)4-8-10/h2-3,5,8,10H,1,4H2
    • InChI Key: XAYUKEAYFFFMDF-UHFFFAOYSA-N
    • SMILES: ONCC1C=NN(C=C)C=1

Computed Properties

  • Exact Mass: 139.074561919g/mol
  • Monoisotopic Mass: 139.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 118
  • 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: -0.3
  • Topological Polar Surface Area: 50.1?2

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Additional information on N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine

Comprehensive Overview of N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine (CAS No. 1695978-27-8)

N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine (CAS No. 1695978-27-8) is a specialized organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in pharmaceuticals, agrochemicals, and material science. The compound features a pyrazole ring, a hydroxylamine functional group, and an ethenyl substituent, making it a versatile intermediate for synthetic chemistry. Researchers and industry professionals are increasingly exploring its role in drug discovery, particularly in the development of novel small-molecule inhibitors and bioconjugation techniques.

One of the most frequently asked questions about N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine is its synthetic route and reactivity. The compound can be synthesized through multi-step organic reactions, often involving the condensation of 1H-pyrazole-4-carbaldehyde with hydroxylamine derivatives, followed by functionalization of the ethenyl group. Its reactivity is influenced by the presence of both nucleophilic (hydroxylamine) and electrophilic (ethenyl) moieties, enabling diverse transformations such as oxime formation, Michael additions, and polymerization reactions. These properties make it a valuable building block for designing bioactive molecules and functional materials.

In the context of current trends, N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine aligns with the growing demand for sustainable chemistry and green synthesis. Researchers are investigating eco-friendly catalytic systems to optimize its production, minimizing waste and energy consumption. Additionally, its potential applications in click chemistry and biocompatible polymers have sparked interest in fields like drug delivery and tissue engineering. These advancements are often highlighted in scientific literature and patent filings, reflecting its commercial and academic relevance.

Another area of interest is the spectroscopic characterization of N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine. Techniques such as NMR, IR spectroscopy, and mass spectrometry are routinely employed to confirm its structure and purity. The compound's stability under various conditions (e.g., pH, temperature) is also a critical factor for its storage and handling, often discussed in technical datasheets and safety guidelines. These details are essential for laboratories and manufacturers aiming to incorporate it into their workflows.

From a commercial perspective, N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine is available through specialized chemical suppliers and custom synthesis providers. Its pricing and availability may vary depending on the scale of procurement and purity requirements. Companies engaged in high-throughput screening or medicinal chemistry often seek this compound for its role in structure-activity relationship (SAR) studies. Furthermore, its inclusion in combinatorial libraries underscores its utility in modern drug discovery pipelines.

Looking ahead, the future of N-[(1-ethenyl-1H-pyrazol-4-yl)methyl]hydroxylamine appears promising, with ongoing research exploring its catalytic applications and biomedical potential. As the scientific community continues to uncover its properties, this compound is likely to play a pivotal role in advancing precision medicine and smart materials. For those interested in its latest developments, monitoring peer-reviewed journals and industry conferences is highly recommended.

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