Cas no 1152841-99-0 (1-Pentyl-1H-pyrazol-4-amine)

1-Pentyl-1H-pyrazol-4-amine is a pyrazole derivative featuring a pentyl substituent at the 1-position and an amine group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structure allows for further functionalization, making it valuable for constructing heterocyclic frameworks. The amine group provides a reactive site for condensation, acylation, or other derivatization reactions, while the pentyl chain may influence solubility and lipophilicity. Suitable for research applications, it is typically handled under controlled conditions due to its potential reactivity. Purity and stability are critical for consistent performance in synthetic workflows.
1-Pentyl-1H-pyrazol-4-amine structure
1-Pentyl-1H-pyrazol-4-amine structure
Product Name:1-Pentyl-1H-pyrazol-4-amine
CAS No:1152841-99-0
MF:C8H15N3
MW:153.224801301956
MDL:MFCD11128211
CID:4681538
PubChem ID:28373971
Update Time:2025-06-22

1-Pentyl-1H-pyrazol-4-amine Chemical and Physical Properties

Names and Identifiers

    • 1-Pentyl-1H-pyrazol-4-amine
    • MDL: MFCD11128211
    • Inchi: 1S/C8H15N3/c1-2-3-4-5-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3
    • InChI Key: DIXPIZADZXSTKA-UHFFFAOYSA-N
    • SMILES: N1(C=C(C=N1)N)CCCCC

Computed Properties

  • Exact Mass: 153.127
  • Monoisotopic Mass: 153.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 106
  • 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
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 60-64℃
  • Boiling Point: 280.9±13.0 °C at 760 mmHg
  • Flash Point: 123.7±19.8 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1-Pentyl-1H-pyrazol-4-amine Security Information

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Additional information on 1-Pentyl-1H-pyrazol-4-amine

Comprehensive Overview of 1-Pentyl-1H-pyrazol-4-amine (CAS No. 1152841-99-0): Properties, Applications, and Research Insights

1-Pentyl-1H-pyrazol-4-amine (CAS No. 1152841-99-0) is a specialized organic compound belonging to the pyrazole derivative family. Its molecular structure features a pentyl group attached to the nitrogen atom of the pyrazole ring, along with an amine functional group at the 4-position. This unique configuration grants the compound distinct chemical properties, making it a subject of interest in pharmaceutical research, agrochemical development, and material science. The compound's CAS registry number (1152841-99-0) serves as a critical identifier for researchers and regulatory bodies worldwide.

In recent years, the demand for pyrazole-based compounds has surged due to their versatility in drug discovery. 1-Pentyl-1H-pyrazol-4-amine has been explored as a potential building block for kinase inhibitors and GPCR-targeted therapies, aligning with the growing focus on precision medicine. Researchers are particularly interested in its structure-activity relationship (SAR), which could unlock novel therapeutic pathways for inflammation and metabolic disorders. The compound's amine functionality also enables facile derivatization, a key advantage in combinatorial chemistry.

From an industrial perspective, 1152841-99-0 has garnered attention in the development of advanced materials. Its heterocyclic core exhibits promising electronic properties, with potential applications in organic semiconductors or conductive polymers. This aligns with the global push toward sustainable electronics, a topic frequently searched in scientific databases like SciFinder and Reaxys. Environmental scientists have also investigated its biodegradation profile, addressing the green chemistry concerns prevalent in modern synthetic workflows.

The synthesis of 1-Pentyl-1H-pyrazol-4-amine typically involves multi-step organic reactions, including nucleophilic substitution and catalytic hydrogenation. Recent publications highlight innovative approaches using flow chemistry techniques to improve yield and reduce waste—a response to the pharmaceutical industry's emphasis on process intensification. Analytical characterization via NMR spectroscopy and high-resolution mass spectrometry (HRMS) confirms its structural integrity, while computational studies (e.g., DFT calculations) predict its reactivity patterns.

Market trends indicate rising queries about "pyrazole amine suppliers" and "custom synthesis of CAS 1152841-99-0," reflecting its niche commercial relevance. Regulatory databases such as PubChem and ChemSpider provide essential safety data sheets, though the compound is not classified under restrictive categories. As research continues, 1-Pentyl-1H-pyrazol-4-amine may emerge as a keystone in developing next-generation bioactive molecules, bridging academic innovation with industrial applications.

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