Cas no 1211488-02-6 (3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine)

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine is a versatile amine derivative featuring a pyrazole core with a propylamine side chain. Its structural motif, combining a nitrogen-rich heterocycle with an aliphatic amine, makes it a valuable intermediate in pharmaceutical and agrochemical synthesis. The methyl substitution at the pyrazole nitrogen enhances stability while maintaining reactivity, enabling selective functionalization. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules, owing to its ability to act as a building block for ligands targeting various receptors. Its well-defined purity and consistent performance ensure reliable results in research and industrial applications.
3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine structure
1211488-02-6 structure
Product Name:3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine
CAS No:1211488-02-6
MF:C7H13N3
MW:139.198220968246
MDL:MFCD09913619
CID:1078479
PubChem ID:47003365
Update Time:2025-06-14

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine
    • [3-(1-Methyl-1H-pyrazol-4-yl)propyl]amine
    • 3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine(SALTDATA: FREE)
    • 3-(1-methyl-1H-pyrazol-4-yl)-1-propanamine
    • ALBB-014221
    • LS-04471
    • STL415112
    • AKOS005174363
    • EN300-65606
    • MFCD09913619
    • AT27410
    • 3-(1-methylpyrazol-4-yl)propan-1-amine
    • 1211488-02-6
    • DTXSID00677635
    • Z851015102
    • F8888-7276
    • MDL: MFCD09913619
    • Inchi: 1S/C7H13N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4,8H2,1H3
    • InChI Key: UFYZSPYVYKTZCA-UHFFFAOYSA-N
    • SMILES: N1(C)C=C(C=N1)CCCN

Computed Properties

  • Exact Mass: 139.110947427g/mol
  • Monoisotopic Mass: 139.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 94.9
  • 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: -0.1
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 251.0±23.0 °C at 760 mmHg
  • Flash Point: 105.6±22.6 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine Security Information

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine Pricemore >>

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Additional information on 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine

Recent Advances in the Study of 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine (CAS: 1211488-02-6): A Promising Compound in Chemical Biology and Pharmaceutical Research

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine (CAS: 1211488-02-6) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This small molecule, featuring a pyrazole moiety linked to an aminopropyl chain, has demonstrated versatile applications in drug discovery and biological probe development. Recent studies have highlighted its potential as a key building block for the synthesis of novel bioactive compounds targeting various disease pathways.

Structural analysis reveals that the compound's unique combination of a hydrogen bond acceptor (pyrazole nitrogen) and a flexible amine-terminated alkyl chain contributes to its remarkable binding properties. Several research groups have utilized 1211488-02-6 as a scaffold for developing modulators of G protein-coupled receptors (GPCRs), particularly those involved in neurological disorders. The methyl group at the 1-position of the pyrazole ring appears to confer metabolic stability while maintaining favorable physicochemical properties.

In recent medicinal chemistry campaigns, derivatives of 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine have shown promising activity as selective serotonin receptor ligands. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that optimized analogs exhibited nanomolar affinity for 5-HT2A receptors with excellent selectivity profiles. These findings suggest potential applications in developing novel therapeutics for psychiatric disorders while minimizing off-target effects.

The compound has also found utility in chemical biology as a versatile intermediate for probe development. Researchers have successfully incorporated 1211488-02-6 into activity-based protein profiling (ABPP) platforms, enabling the study of enzyme function in complex biological systems. Its moderate lipophilicity (calculated logP ~1.2) and molecular weight (139.19 g/mol) make it particularly suitable for designing cell-permeable probes.

Recent synthetic methodology developments have significantly improved access to 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine and its derivatives. A 2024 report in Organic Process Research & Development described a scalable, cost-effective route employing catalytic hydrogenation of the corresponding nitrile precursor. This advancement addresses previous challenges in large-scale production, facilitating further pharmacological evaluation of this compound class.

Ongoing research continues to explore the therapeutic potential of 1211488-02-6 derivatives. Preliminary in vivo studies in rodent models have shown favorable pharmacokinetic properties, including good oral bioavailability and blood-brain barrier penetration. These characteristics, combined with the compound's synthetic tractability, position it as a valuable scaffold for central nervous system drug discovery programs.

As research progresses, 3-(1-Methyl-1H-pyrazol-4-yl)propan-1-amine represents an excellent example of how simple chemical structures can serve as versatile platforms for drug discovery. The compound's dual functionality allows for diverse structural modifications, enabling the exploration of various biological targets while maintaining favorable drug-like properties. Future studies will likely focus on expanding its applications to additional target classes and optimizing its pharmacological profile for clinical translation.

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