Cas no 1204396-41-7 (3-Amino-4-pyrazolecarbonitrile)

3-Amino-4-pyrazolecarbonitrile structure
1204396-41-7 structure
Product Name:3-Amino-4-pyrazolecarbonitrile
CAS No:1204396-41-7
MF:C4H4N4
MW:108.101359367371
MDL:MFCD00067703
CID:1028276
Update Time:2025-07-18

3-Amino-4-pyrazolecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-1H-pyrazole-4-carbonitrile
    • 3-Amino-1H-pyrazole-4-carbonitrile
    • 3-Amino-4-pyrazolecarbonitrile
    • 3-Amino-4-cyanopyrazole
    • 5-Amino-4-cyanopyrazole
    • 3-Aminopyrazole-4-carbonitrile
    • 1H-Pyrazole-4-carbonitrile, 3-amino-
    • 5-Aminopyrazole-4-carbonitrile
    • 3-amino-4-cyano-1h-pyrazole
    • 4-cyano-5-aminopyrazole
    • 3-amino-4-cyano pyrazole
    • Pyrazole-4-carbonitrile, 3-amino-
    • 5-Amino-4-pyrazolecarbonitrile
    • 3-amino-pyrazole-4-carbonitrile
    • 3-amino-2H-pyrazole-4-carbonitrile
    • NSC
    • MDL: MFCD00067703
    • Inchi: 1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
    • InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N
    • SMILES: N1C(=C(C#N)C=N1)N

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 123
  • Topological Polar Surface Area: 78.5

3-Amino-4-pyrazolecarbonitrile Security Information

3-Amino-4-pyrazolecarbonitrile Pricemore >>

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Additional information on 3-Amino-4-pyrazolecarbonitrile

Comprehensive Overview of 3-Amino-4-pyrazolecarbonitrile (CAS No. 1204396-41-7): Properties, Applications, and Industry Insights

3-Amino-4-pyrazolecarbonitrile (CAS No. 1204396-41-7) is a versatile heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative is characterized by its unique molecular structure, featuring an amino group and a nitrile functionality, which make it a valuable intermediate in organic synthesis. The compound's chemical stability and reactivity have positioned it as a key building block for developing novel bioactive molecules, particularly in drug discovery programs targeting kinase inhibitors and antimicrobial agents.

In recent years, the demand for specialty chemicals like 3-Amino-4-pyrazolecarbonitrile has surged, driven by advancements in precision medicine and green chemistry initiatives. Researchers are particularly interested in its potential applications for designing small molecule therapeutics, with several patent filings referencing its use in cancer treatment and metabolic disorder research. The compound's nitrile group offers excellent opportunities for further functionalization, making it adaptable to various cross-coupling reactions in modern synthetic methodologies.

The synthesis of 3-Amino-4-pyrazolecarbonitrile typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to verify its structural integrity. Industry standards require the compound to meet stringent quality control specifications, especially when used in GMP-compliant pharmaceutical manufacturing processes.

From an industrial perspective, 1204396-41-7 has become a subject of interest in supply chain optimization discussions, particularly regarding API intermediates production. Manufacturers are exploring sustainable production methods, including catalyzed reactions and flow chemistry approaches, to reduce environmental impact while maintaining cost efficiency. These developments align with growing market demands for eco-friendly synthesis routes in fine chemical production.

The compound's physicochemical properties, including its solubility profile and thermal stability, have been extensively studied to facilitate formulation development. Researchers emphasize its compatibility with various organic solvents, which is crucial for process chemistry applications. Recent publications have highlighted its role in creating molecular scaffolds for high-throughput screening libraries, demonstrating its importance in early-stage drug discovery.

Emerging trends in computational chemistry have further elevated interest in 3-Amino-4-pyrazolecarbonitrile, with molecular docking studies predicting its potential interactions with biological targets. This computational approach, combined with structure-activity relationship (SAR) analyses, accelerates the identification of promising lead compounds in medicinal chemistry projects. The compound's pharmacophore features are particularly valued in designing selective enzyme inhibitors.

Quality assurance protocols for 1204396-41-7 emphasize rigorous impurity profiling to meet regulatory requirements. Analytical methods development for this compound focuses on detecting and quantifying potential process-related impurities, ensuring compliance with ICH guidelines. These quality considerations are paramount when the material is intended for use in clinical trial materials or commercial pharmaceutical products.

The global market for pyrazole derivatives continues to expand, with 3-Amino-4-pyrazolecarbonitrile maintaining a stable position in research chemical catalogs. Industry reports suggest growing applications in material science beyond life sciences, including potential uses in organic electronics and advanced materials development. This diversification highlights the compound's versatility and underscores the importance of continued research into its properties and applications.

Storage and handling recommendations for 3-Amino-4-pyrazolecarbonitrile follow standard protocols for nitrile-containing compounds, with emphasis on moisture control and protection from oxidative degradation. Proper material safety practices ensure long-term stability and maintain the compound's reactivity for subsequent synthetic transformations. These considerations are particularly important for research institutions and manufacturing facilities handling bulk quantities.

Future research directions for 1204396-41-7 may explore its potential in bioconjugation chemistry and prodrug design, leveraging its functional groups for targeted delivery systems. The compound's molecular architecture offers opportunities for creating hybrid molecules with enhanced biological activity, aligning with current trends in multitarget drug discovery. Such developments could further establish its importance in modern pharmaceutical research and development pipelines.

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