Cas no 1152963-72-8 (3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile)

3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile is a versatile heterocyclic compound featuring both a pyrazole core and a nitrile functional group. Its unique structure, combining an aminomethyl substituent with a propanenitrile linker, makes it a valuable intermediate in organic synthesis and pharmaceutical research. The compound's reactivity allows for further functionalization, enabling applications in the development of bioactive molecules, ligands, and agrochemicals. Its stability under standard conditions and compatibility with a range of reaction conditions enhance its utility in multi-step synthetic routes. The presence of both nucleophilic (aminomethyl) and electrophilic (nitrile) sites offers flexibility in designing targeted derivatives for specialized applications.
3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile structure
1152963-72-8 structure
Product Name:3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile
CAS No:1152963-72-8
MF:C7H10N4
MW:150.1811003685
CID:4774996
Update Time:2025-06-11

3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-[4-(aminomethyl)-1H-pyrazol-1-yl]propanenitrile
    • 3-[4-(aminomethyl)pyrazol-1-yl]propanenitrile
    • 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile
    • Inchi: 1S/C7H10N4/c8-2-1-3-11-6-7(4-9)5-10-11/h5-6H,1,3-4,9H2
    • InChI Key: SLPAAMLSFMZRCV-UHFFFAOYSA-N
    • SMILES: N1(C=C(C=N1)CN)CCC#N

Computed Properties

  • Exact Mass: 150.090546336 g/mol
  • Monoisotopic Mass: 150.090546336 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: -1.3
  • Topological Polar Surface Area: 67.6
  • Molecular Weight: 150.18

3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile Pricemore >>

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Additional information on 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile

Comprehensive Overview of 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile (CAS No. 1152963-72-8)

3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile (CAS No. 1152963-72-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This nitrile-functionalized pyrazole derivative is widely studied for its potential applications in drug discovery, particularly as a building block for bioactive molecules. Its molecular formula, C7H10N4, and distinct functional groups make it a versatile intermediate in synthetic chemistry.

One of the key features of 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile is its aminomethyl substituent, which enhances its reactivity in nucleophilic substitution reactions. Researchers frequently explore its utility in constructing heterocyclic frameworks, a topic highly searched in academic and industrial forums. The compound’s nitrile group further expands its applicability, enabling transformations into amides, carboxylic acids, or tetrazoles—critical motifs in medicinal chemistry.

In recent years, the demand for pyrazole-based compounds like 1152963-72-8 has surged, driven by their role in developing kinase inhibitors and anti-inflammatory agents. This aligns with trending searches such as "pyrazole derivatives in drug design" and "nitrile-containing pharmaceuticals." The compound’s stability under mild conditions also makes it a preferred choice for high-throughput screening libraries, a hot topic in AI-driven drug discovery platforms.

From a synthetic perspective, 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile is often synthesized via multistep organic reactions, including condensation and cyclization protocols. Its purity and yield are critical parameters, frequently discussed in peer-reviewed journals and patent literature. Analytical techniques like HPLC and NMR spectroscopy are essential for characterizing this compound, addressing common queries about "quality control of nitrile intermediates."

Beyond pharmaceuticals, CAS No. 1152963-72-8 finds niche applications in material science, particularly in designing functionalized polymers with tailored properties. This interdisciplinary relevance answers growing searches for "smart materials with heterocyclic linkers." Its low environmental persistence, as indicated by preliminary biodegradability studies, further boosts its appeal in sustainable chemistry initiatives.

In summary, 3-[4-(Aminomethyl)-1H-pyrazol-1-yl]propanenitrile exemplifies the convergence of synthetic versatility and biomedical potential. Its alignment with trending research themes—such as fragment-based drug discovery and green chemistry—ensures continued relevance in scientific discourse. For researchers seeking reliable data on this compound, peer-validated sources and supplier certifications remain indispensable.

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