Cas no 159979-74-5 (1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)-)

5-Amino-1-(2-phenylethyl)-1H-pyrazole-4-carbonitrile is a heterocyclic compound featuring a pyrazole core substituted with an amino group at the 5-position and a 2-phenylethyl moiety at the 1-position. The 4-carbonitrile group enhances its reactivity, making it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals and agrochemicals. Its structural features contribute to its utility in constructing complex molecular frameworks, including nitrogen-containing heterocycles. The compound’s well-defined reactivity profile and stability under various conditions make it suitable for use in multi-step synthetic routes. Its purity and consistent performance are critical for applications in medicinal chemistry and material science research.
1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- structure
159979-74-5 structure
Product Name:1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)-
CAS No:159979-74-5
MF:C12H12N4
MW:212.25048160553
CID:1339039
PubChem ID:10608593
Update Time:2025-11-02

1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)-
    • 159979-74-5
    • FGWVIQWGHLKUCM-UHFFFAOYSA-N
    • AKOS024391650
    • 5-amino-1-(2-phenylethyl)-1H-pyrazole-4-carbonitrile
    • SCHEMBL2855079
    • DTXSID201218749
    • 5-Amino-1-phenethyl-1H-pyrazole-4-carbonitrile
    • Inchi: 1S/C12H12N4/c13-8-11-9-15-16(12(11)14)7-6-10-4-2-1-3-5-10/h1-5,9H,6-7,14H2
    • InChI Key: FGWVIQWGHLKUCM-UHFFFAOYSA-N
    • SMILES: N1(C(=C(C#N)C=N1)N)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 212.10636
  • Monoisotopic Mass: 212.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 263
  • 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: 2
  • Topological Polar Surface Area: 67.6?2

Experimental Properties

  • PSA: 67.63

1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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Additional information on 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)-

Comprehensive Guide to 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- (CAS No. 159979-74-5)

1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- (CAS No. 159979-74-5) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative features a unique combination of functional groups, including an amino group at the 5-position and a nitrile group at the 4-position, making it a versatile intermediate for various synthetic applications. The compound's molecular structure, characterized by the phenylethyl substitution, contributes to its distinctive chemical properties and potential biological activities.

In recent years, the demand for 5-amino-1-(2-phenylethyl)-1H-pyrazole-4-carbonitrile has increased due to its role in developing novel therapeutic agents. Researchers have explored its potential as a building block for kinase inhibitors and G-protein-coupled receptor (GPCR) modulators, which are hot topics in drug discovery. The compound's ability to interact with various biological targets makes it particularly valuable in addressing current healthcare challenges, such as developing treatments for chronic inflammatory diseases and metabolic disorders.

The synthesis of 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- typically involves multi-step organic reactions, including condensation and cyclization processes. Advanced purification techniques, such as column chromatography and recrystallization, ensure high purity levels suitable for research and development purposes. Analytical characterization using NMR spectroscopy, mass spectrometry, and HPLC confirms the compound's structural integrity and purity, which are critical for its applications in medicinal chemistry.

From an industrial perspective, CAS 159979-74-5 has shown promise in agrochemical formulations. Its structural features make it a potential candidate for developing new-generation pesticides and herbicides, aligning with the growing demand for environmentally friendly crop protection solutions. The compound's stability under various environmental conditions enhances its suitability for agricultural applications, addressing current concerns about sustainable farming practices.

Market trends indicate a steady growth in the demand for pyrazole-based compounds, with 5-amino-1-(2-phenylethyl)-1H-pyrazole-4-carbonitrile being no exception. Pharmaceutical companies and research institutions are increasingly sourcing this compound for their drug discovery programs, particularly in areas such as cancer research and neurological disorders. The compound's versatility allows for structural modifications, enabling the development of targeted therapies with improved efficacy and reduced side effects.

Quality control measures for 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)- are stringent, with manufacturers adhering to international standards such as ISO and GMP. These protocols ensure batch-to-batch consistency and meet the rigorous requirements of pharmaceutical applications. Storage recommendations typically include protection from moisture and light, with optimal conditions maintained to preserve the compound's stability over extended periods.

Recent advancements in synthetic chemistry have led to improved production methods for CAS 159979-74-5, resulting in higher yields and reduced environmental impact. Green chemistry approaches, including solvent-free reactions and catalytic processes, are being explored to enhance the sustainability of its production. These developments align with the chemical industry's focus on eco-friendly manufacturing practices and reduced carbon footprints.

The future outlook for 5-amino-1-(2-phenylethyl)-1H-pyrazole-4-carbonitrile appears promising, with ongoing research uncovering new potential applications. Its role in developing bioconjugates and prodrugs is particularly noteworthy, offering solutions for targeted drug delivery systems. As the scientific community continues to investigate its properties, this compound is expected to play an increasingly important role in addressing current healthcare and agricultural challenges.

For researchers and industry professionals seeking detailed technical information about 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-phenylethyl)-, comprehensive datasheets including spectroscopic data, solubility characteristics, and safety profiles are available from reputable chemical suppliers. These resources facilitate proper handling and application of the compound in various research and industrial settings.

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