Cas no 1005611-75-5 (2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide)

2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide is a specialized hydrazide derivative featuring a nitro-substituted pyrazole moiety. This compound is of interest in synthetic and medicinal chemistry due to its potential as a versatile intermediate for the development of pharmacologically active molecules. The presence of both hydrazide and nitro-pyrazole functional groups enhances its reactivity, enabling applications in heterocyclic synthesis and drug discovery. Its structural framework may contribute to binding interactions with biological targets, making it a candidate for further investigation in enzyme inhibition or receptor modulation studies. The compound's stability under standard conditions facilitates handling and storage in laboratory settings.
2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide structure
1005611-75-5 structure
Product Name:2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide
CAS No:1005611-75-5
MF:C7H11N5O3
MW:213.193940401077
MDL:MFCD04967371
CID:3058309
PubChem ID:17024547
Update Time:2025-06-03

2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide
    • AKOS B016242
    • ART-CHEM-BB B016242
    • 2-METHYL-3-(4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID HYDRAZIDE
    • 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanohydrazide
    • EN300-229067
    • STK312158
    • AKOS015922246
    • BBL038499
    • 2-methyl-3-(4-nitropyrazol-1-yl)propanehydrazide
    • AKOS000305809
    • 1005611-75-5
    • MDL： MFCD04967371
    • Inchi： 1S/C7H11N5O3/c1-5(7(13)10-8)3-11-4-6(2-9-11)12(14)15/h2,4-5H,3,8H2,1H3,(H,10,13)
    • InChI Key： VIBQWSKYALQFNI-UHFFFAOYSA-N
    • SMILES： O=C(C(C)CN1C=C(C=N1)[N+](=O)[O-])NN

Computed Properties

  • Exact Mass: 213.08618923Da
  • Monoisotopic Mass: 213.08618923Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.9
  • Topological Polar Surface Area: 119?2

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2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide Related Literature

Additional information on 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide

Comprehensive Overview of 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide (CAS No. 1005611-75-5): Properties, Applications, and Research Insights

The compound 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide (CAS No. 1005611-75-5) is a specialized organic molecule that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. With a molecular formula that includes a nitro-substituted pyrazole ring and a hydrazide functional group, this compound exhibits versatile reactivity, making it a valuable intermediate in synthetic chemistry. Researchers are increasingly exploring its potential in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutic solutions.

In recent years, the scientific community has focused on nitrogen-containing heterocycles like pyrazole derivatives, owing to their broad bioactivity. The presence of the 4-nitro-1H-pyrazol-1-yl moiety in this compound enhances its electron-withdrawing properties, which is critical for modulating pharmacokinetic parameters. This aligns with trending searches such as "pyrazole-based drug design" and "nitro group in medicinal chemistry," reflecting the compound’s relevance in modern research. Computational studies using AI-driven molecular docking tools have further highlighted its binding affinity toward enzymatic targets, a topic frequently queried in academic databases.

From a synthetic perspective, CAS No. 1005611-75-5 serves as a key precursor for constructing more complex architectures. Its propanehydrazide backbone allows for facile derivatization, enabling the creation of libraries for high-throughput screening. This adaptability resonates with industry demands for "scaffold diversification" and "fragment-based drug discovery," as evidenced by search engine analytics. Moreover, its stability under physiological conditions makes it a candidate for probing structure-activity relationships (SAR) in lead optimization campaigns.

Environmental and sustainability considerations are also pivotal in contemporary discussions. The compound’s synthetic route has been optimized to reduce hazardous byproducts, addressing the "green chemistry" trend. Analytical techniques like HPLC-MS and NMR spectroscopy are routinely employed to characterize its purity, ensuring compliance with regulatory standards—a frequent concern among quality control professionals searching for "analytical validation of intermediates."

In agrochemical applications, derivatives of 2-Methyl-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide have shown promise as plant growth regulators, coinciding with the surge in queries about "sustainable crop protection." Its mode of action involves interference with hormonal pathways, a mechanism explored in peer-reviewed studies. This dual utility in pharmaceuticals and agriculture underscores its interdisciplinary importance, a facet often highlighted in "cross-industry chemical applications" searches.

Ongoing research aims to elucidate the compound’s metabolic stability and toxicity profile, topics dominating forums on preclinical development. Collaborative efforts between academia and industry continue to expand its potential, ensuring CAS No. 1005611-75-5 remains a focal point in innovation-driven sectors. As synthetic methodologies evolve, this compound exemplifies the convergence of traditional organic chemistry with cutting-edge computational modeling techniques.

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