Cas no 1006480-90-5 (3-(4-Chloro-1H-pyrazol-1-yl)pentylamine)

3-(4-Chloro-1H-pyrazol-1-yl)pentylamine is a specialized organic compound featuring a chloro-substituted pyrazole ring linked to a pentylamine chain. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both the chloro-pyrazole moiety and the primary amine group allows for versatile functionalization, enabling its use in the development of biologically active molecules. Its well-defined chemical properties ensure consistent performance in coupling reactions and heterocyclic modifications. The compound is particularly useful in medicinal chemistry for designing targeted inhibitors or ligands. High purity and stability under standard conditions further enhance its suitability for research and industrial applications.
3-(4-Chloro-1H-pyrazol-1-yl)pentylamine structure
1006480-90-5 structure
Product Name:3-(4-Chloro-1H-pyrazol-1-yl)pentylamine
CAS No:1006480-90-5
MF:C8H14ClN3
MW:187.669860363007
MDL:MFCD06805038
CID:2951536
PubChem ID:19616728
Update Time:2025-08-02

3-(4-Chloro-1H-pyrazol-1-yl)pentylamine Chemical and Physical Properties

Names and Identifiers

    • [3-(4-氯-1H-吡唑-1-基)戊基]胺
    • AKOS B024121
    • ART-CHEM-BB B024121
    • 3-(4-CHLORO-PYRAZOL-1-YL)-PENTYLAMINE
    • [3-(4-Chloro-1H-pyrazol-1-yl)pentyl]amine
    • 3-(4-chloro-1H-pyrazol-1-yl)pentan-1-amine
    • 3-(4-chloropyrazol-1-yl)pentan-1-amine
    • BBL040273
    • STK350094
    • ALBB-021574
    • CS-0215260
    • MFCD06805038
    • AKOS000308949
    • EN300-230212
    • LS-06493
    • 1006480-90-5
    • H33084
    • 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine
    • MDL: MFCD06805038
    • Inchi: 1S/C8H14ClN3/c1-2-8(3-4-10)12-6-7(9)5-11-12/h5-6,8H,2-4,10H2,1H3
    • InChI Key: AKLXSUBMIKATRY-UHFFFAOYSA-N
    • SMILES: ClC1C=NN(C=1)C(CC)CCN

Computed Properties

  • Exact Mass: 187.0876252Da
  • Monoisotopic Mass: 187.0876252Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 282.0±20.0 °C at 760 mmHg
  • Flash Point: 124.4±21.8 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(4-Chloro-1H-pyrazol-1-yl)pentylamine Security Information

3-(4-Chloro-1H-pyrazol-1-yl)pentylamine Pricemore >>

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Additional information on 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine

3-(4-Chloro-1H-pyrazol-1-yl)pentylamine: A Comprehensive Overview

The compound 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine (CAS No. 1006480-90-5) is a structurally unique organic compound with significant potential in various chemical and pharmaceutical applications. This compound belongs to the class of amines, specifically a pentylamine derivative, with a substituted pyrazole ring at the third position of the pentyl chain. The pyrazole ring, a five-membered aromatic heterocycle containing two nitrogen atoms, is further substituted with a chlorine atom at the fourth position, adding to its chemical complexity and reactivity.

Recent studies have highlighted the importance of pyrazole derivatives in medicinal chemistry due to their ability to act as ligands for various biological targets, including enzymes and receptors. The presence of the chlorine substituent in 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine introduces electron-withdrawing effects, which can modulate the electronic properties of the molecule, making it potentially useful in drug design and development. For instance, researchers have explored the use of such compounds in inhibiting kinase enzymes, which are critical in cellular signaling pathways.

The synthesis of 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine involves a multi-step process that typically begins with the preparation of the pyrazole ring. This is often achieved through condensation reactions involving carbonyl compounds and ammonia or its derivatives. The subsequent substitution at the fourth position with chlorine can be carried out via electrophilic substitution methods, followed by coupling reactions to attach the pentylamine chain. The optimization of these steps is crucial to ensure high yields and purity of the final product.

One of the most promising applications of 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine lies in its potential as a precursor for more complex molecules. For example, it can serve as an intermediate in the synthesis of bioactive compounds with enhanced pharmacokinetic properties. Recent advancements in click chemistry have enabled researchers to efficiently couple this compound with other functional groups, facilitating its integration into larger molecular frameworks.

In terms of physical properties, 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine exhibits a melting point that is typical for organic amines, making it suitable for various thermal processing techniques commonly employed in pharmaceutical manufacturing. Its solubility characteristics also make it amenable to both organic and aqueous reaction conditions, depending on the specific application.

From an environmental standpoint, understanding the degradation pathways of 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine is essential for assessing its ecological impact. Recent studies have shown that this compound undergoes hydrolytic degradation under certain conditions, particularly in alkaline environments, which could be leveraged for waste management purposes in industrial settings.

In conclusion, 3-(4-Chloro-1H-pyrazol-1-yl)pentylamine (CAS No. 1006480-90-5) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in contemporary research and development efforts, particularly in the fields of medicinal chemistry and materials science.

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