Cas no 1176630-17-3 (3-(p-Tolyl)-1H-indazol-5-amine)

3-(p-Tolyl)-1H-indazol-5-amine is a heterocyclic aromatic compound featuring an indazole core substituted with a p-tolyl group at the 3-position and an amine functionality at the 5-position. This structure confers potential utility as an intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of kinase inhibitors and other biologically active molecules. The presence of the amine group enhances reactivity for further derivatization, while the p-tolyl moiety may influence lipophilicity and binding affinity. Its well-defined molecular architecture makes it suitable for structure-activity relationship studies. The compound is typically characterized by HPLC, NMR, and mass spectrometry to ensure high purity and consistency for research applications.
3-(p-Tolyl)-1H-indazol-5-amine structure
1176630-17-3 structure
Product Name:3-(p-Tolyl)-1H-indazol-5-amine
CAS No:1176630-17-3
MF:C14H13N3
MW:223.273122549057
CID:1033969
PubChem ID:39218240
Update Time:2025-06-13

3-(p-Tolyl)-1H-indazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(p-Tolyl)-1H-indazol-5-amine
    • 3-(4-methylphenyl)-1H-indazol-5-amine
    • 1176630-17-3
    • 3-p-tolyl-1H-indazol-5-amine
    • J-513082
    • DTXSID40653478
    • Inchi: 1S/C14H13N3/c1-9-2-4-10(5-3-9)14-12-8-11(15)6-7-13(12)16-17-14/h2-8H,15H2,1H3,(H,16,17)
    • InChI Key: BFNHDSZLRTZEMG-UHFFFAOYSA-N
    • SMILES: N1C2C=CC(=CC=2C(C2C=CC(C)=CC=2)=N1)N

Computed Properties

  • Exact Mass: 223.110947427g/mol
  • Monoisotopic Mass: 223.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 260
  • 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: 2.9
  • Topological Polar Surface Area: 54.7?2

3-(p-Tolyl)-1H-indazol-5-amine Pricemore >>

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3-(p-Tolyl)-1H-indazol-5-amine Related Literature

Additional information on 3-(p-Tolyl)-1H-indazol-5-amine

Comprehensive Overview of 3-(p-Tolyl)-1H-indazol-5-amine (CAS No. 1176630-17-3): Properties, Applications, and Research Insights

3-(p-Tolyl)-1H-indazol-5-amine (CAS No. 1176630-17-3) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and materials science research. This indazole derivative features a unique molecular structure combining a p-tolyl group with an amine-functionalized indazole core, making it valuable for diverse applications. Recent studies highlight its potential as a kinase inhibitor scaffold, aligning with the growing demand for targeted cancer therapies – a trending topic in biomedical research.

The compound's structure-activity relationship (SAR) has become a focal point for drug discovery, particularly in addressing drug-resistant cancers, a frequently searched term in scientific databases. Researchers are investigating how modifications to its amine group or tolyl substituent affect bioactivity, with computational chemistry (AI-assisted molecular docking being a hot keyword) playing an increasingly important role. These studies often appear in discussions about personalized medicine, another high-traffic topic in healthcare forums.

From a synthetic chemistry perspective, 1176630-17-3 serves as a versatile building block for creating more complex molecules. Its electron-rich indazole system allows participation in various coupling reactions, a subject frequently queried in organic chemistry communities. The para-methyl group on the phenyl ring enhances stability while maintaining reactivity – a balance often sought after in medicinal chemistry optimization strategies, a phrase with rising search volume in academic circles.

Material scientists have explored 3-(p-Tolyl)-1H-indazol-5-amine for developing organic semiconductors, connecting it to the booming field of flexible electronics. The compound's conjugated π-system and hydrogen-bonding capability make it interesting for molecular self-assembly applications, keywords frequently appearing in nanotechnology publications. This dual applicability in life sciences and advanced materials positions it as a multidisciplinary research compound, a concept gaining traction in grant proposals.

Analytical characterization of CAS 1176630-17-3 typically involves advanced techniques like LC-MS (liquid chromatography-mass spectrometry) and NMR spectroscopy, methods commonly searched by quality control professionals. The compound's UV-Vis absorption profile around 300-350 nm makes it detectable at low concentrations, important for ADME studies (absorption, distribution, metabolism, excretion) – a crucial consideration in preclinical development workflows.

In the context of green chemistry (a trending search term), researchers are developing more sustainable synthetic routes to 3-(p-Tolyl)-1H-indazol-5-amine, focusing on catalyst recycling and solvent reduction. These efforts align with the pharmaceutical industry's push toward environmentally friendly synthesis, frequently discussed in ESG (environmental, social, governance) reports. The compound's moderate water solubility also makes it relevant for aqueous-phase chemistry innovations.

The safety profile of 1176630-17-3 remains an active research area, with particular attention to its metabolic stability and cytochrome P450 interactions – key phrases in toxicology searches. While not classified as hazardous, proper handling protocols are emphasized in laboratory safety guidelines, a constantly updated resource for researchers. Its thermal stability up to 200°C makes it suitable for various high-temperature applications in material science.

Patent analysis reveals growing interest in 3-(p-Tolyl)-1H-indazol-5-amine derivatives, particularly for immune modulation applications. This connects to popular searches about next-generation immunotherapies. The compound's tunable electronic properties also feature in patents related to organic light-emitting diodes (OLEDs), tying into consumer electronics trends.

As research continues, CAS 1176630-17-3 exemplifies how small molecule scaffolds can bridge multiple scientific disciplines. Its appearance in high-throughput screening libraries and fragment-based drug design projects (both frequently searched methodologies) underscores its relevance in modern discovery pipelines. The compound's journey from synthetic intermediate to potential therapeutic agent mirrors the evolution of many blockbuster drugs, making it a compelling case study for aspiring medicinal chemists.

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