Cas no 1339422-72-8 (1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine)

1-(3-(Propan-2-yloxy)propyl)-1H-pyrazol-3-amine is a pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a propyl ether linkage and an amine-functionalized pyrazole core, offering versatility in synthetic modifications. The compound's ether moiety enhances solubility and bioavailability, while the pyrazole-amine group provides a reactive site for further derivatization. This makes it a valuable intermediate in the development of biologically active molecules, including kinase inhibitors or antimicrobial agents. Its stability under standard conditions and compatibility with common organic solvents further contribute to its utility in laboratory-scale and industrial synthesis. The compound's balanced lipophilicity may also support favorable pharmacokinetic properties in drug discovery applications.
1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine structure
1339422-72-8 structure
Product Name:1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine
CAS No:1339422-72-8
MF:C9H17N3O
MW:183.250781774521
CID:5906682
PubChem ID:63311375
Update Time:2025-05-25

1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazol-3-amine, 1-[3-(1-methylethoxy)propyl]-
    • 1-(3-Isopropoxypropyl)-1h-pyrazol-3-amine
    • 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine
    • EN300-1109616
    • 1339422-72-8
    • AKOS012615449
    • 1-[3-(propan-2-yloxy)propyl]-1H-pyrazol-3-amine
    • CS-0285013
    • Inchi: 1S/C9H17N3O/c1-8(2)13-7-3-5-12-6-4-9(10)11-12/h4,6,8H,3,5,7H2,1-2H3,(H2,10,11)
    • InChI Key: OWEOJQPXSUZMFI-UHFFFAOYSA-N
    • SMILES: N1(CCCOC(C)C)C=CC(N)=N1

Computed Properties

  • Exact Mass: 183.137162174g/mol
  • Monoisotopic Mass: 183.137162174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 141
  • 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: 0.8
  • Topological Polar Surface Area: 53.1?2

Experimental Properties

  • Density: 1.10±0.1 g/cm3(Predicted)
  • Boiling Point: 316.1±22.0 °C(Predicted)
  • pka: 3.95±0.10(Predicted)

1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine Pricemore >>

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Additional information on 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine

1-3-(Propan-2-yloxy)propyl-1H-pyrazol-3-amine: A Comprehensive Overview

The compound with CAS No. 1339422-72-8, commonly referred to as 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrazole derivatives, which are known for their diverse biological activities and potential applications in drug discovery. The structure of 1H-pyrazol is central to its functionality, with the substituent propan-2-yloxypropyl playing a crucial role in modulating its chemical and biological properties.

Recent studies have highlighted the importance of pyrazole derivatives in medicinal chemistry due to their ability to interact with various biological targets. For instance, research published in 2023 demonstrated that 1H-pyrazol derivatives can act as potent inhibitors of certain kinases, making them promising candidates for anti-cancer therapies. The presence of the propan-2-yloxypropyl group in this compound further enhances its bioavailability and stability, which are critical factors for drug development.

The synthesis of 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine involves a multi-step process that typically begins with the preparation of the pyrazole ring. This is followed by the introduction of the propan-2-yloxypropyl group through nucleophilic substitution or coupling reactions. Advanced techniques such as microwave-assisted synthesis and catalytic methods have been employed to optimize the reaction conditions, ensuring high yields and purity.

In terms of applications, this compound has shown potential in several therapeutic areas. For example, it has been investigated for its anti-inflammatory properties, with studies indicating that it can effectively inhibit COX enzymes, which are key players in inflammation. Additionally, preliminary results suggest that this compound may possess antioxidant activity, making it a candidate for neuroprotective agents.

One of the most exciting developments involving this compound is its role in targeted drug delivery systems. Researchers have explored the use of pyrazole derivatives as carriers for delivering therapeutic agents to specific tissues or cells. The unique structure of 1H-pyrazol allows for functionalization with targeting ligands, enhancing the specificity and efficacy of drug delivery.

From a structural perspective, the propan-2-yloxypropyl group introduces steric hindrance and hydrophilic properties to the molecule. These characteristics not only influence its solubility but also play a significant role in its interactions with biological membranes. Computational studies using molecular docking have provided insights into how this compound binds to various receptors, further elucidating its mechanism of action.

Looking ahead, ongoing research aims to explore the pharmacokinetic profile of 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine in preclinical models. Understanding its absorption, distribution, metabolism, and excretion (ADME) properties will be essential for advancing it into clinical trials. Furthermore, efforts are being made to identify additional biological targets that this compound can modulate, broadening its potential therapeutic applications.

In conclusion, 1H-pyrazol derivatives like 1-3-(propan-2-yloxy)propyl-1H-pyrazol-3-amine represent a promising class of compounds with diverse biological activities and therapeutic potential. As research continues to uncover new insights into their structure-function relationships and mechanisms of action, they are likely to play an increasingly important role in drug discovery and development.

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