Cas no 1006454-49-4 (<br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e)

3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine is a specialized pyrazole derivative with a trifluoromethyl and cyclopropyl substituent, offering unique reactivity and structural properties. Its chloro and trifluoromethyl groups enhance electrophilic character, making it valuable in agrochemical and pharmaceutical synthesis. The cyclopropyl ring contributes to steric and electronic modulation, while the propan-1-amine side chain provides functional versatility for further derivatization. This compound is particularly useful as an intermediate in the development of biologically active molecules, including potential herbicides or enzyme inhibitors. Its well-defined structure ensures consistent performance in synthetic applications, and its stability under standard conditions facilitates handling and storage.
<br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e structure
1006454-49-4 structure
Product Name:<br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e
CAS No:1006454-49-4
MF:C10H13ClF3N3
MW:267.67853140831
CID:3057987
PubChem ID:19616930
Update Time:2025-10-09

<br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e Chemical and Physical Properties

Names and Identifiers

    • <br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e
    • 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
    • STK349196
    • 1006454-49-4
    • 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
    • 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
    • AKOS000305159
    • CS-0325523
    • MDL: MFCD03422564
    • Inchi: 1S/C10H13ClF3N3/c11-7-8(6-2-3-6)17(5-1-4-15)16-9(7)10(12,13)14/h6H,1-5,15H2
    • InChI Key: VYDMRXGMHCRHLL-UHFFFAOYSA-N
    • SMILES: ClC1C(C(F)(F)F)=NN(CCCN)C=1C1CC1

Computed Properties

  • Exact Mass: 267.0750096Da
  • Monoisotopic Mass: 267.0750096Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 270
  • 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: 1.7
  • Topological Polar Surface Area: 43.8?2

<br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC410455-1g
3-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
1006454-49-4
1g
£745.00 2025-02-21
Chemenu
CM483682-1g
3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
1006454-49-4 97%
1g
$337 2022-06-14

Additional information on <br>3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amin e

Compound CAS No. 1006454-49-4: A Comprehensive Overview

The compound with CAS No. 1006454-49-4, known as 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine, is a highly specialized organic molecule with significant potential in various chemical and pharmaceutical applications. This compound has garnered attention in recent years due to its unique structural features and promising biological activities. In this article, we delve into the details of its structure, synthesis, properties, and potential applications, incorporating the latest research findings to provide a comprehensive understanding.

The molecular structure of 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine is characterized by a pyrazole ring system, which serves as the central scaffold. The pyrazole ring is substituted with a chlorine atom at the 4-position, a cyclopropyl group at the 5-position, and a trifluoromethyl group at the 3-position. These substituents contribute to the molecule's electronic and steric properties, making it highly versatile for various chemical reactions. The propaneamine moiety attached to the pyrazole ring further enhances its reactivity and functional diversity.

Recent studies have highlighted the importance of pyrazole derivatives in drug discovery, particularly in the development of kinase inhibitors and other therapeutic agents. The presence of electron-withdrawing groups such as chlorine and trifluoromethyl groups in this compound enhances its ability to interact with biological targets, making it a valuable candidate for medicinal chemistry research. Additionally, the cyclopropyl group introduces strain and unique geometric properties, which can be exploited for designing molecules with improved pharmacokinetic profiles.

The synthesis of 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine involves a multi-step process that typically begins with the preparation of the pyrazole core. This is followed by functionalization with the desired substituents using advanced coupling reactions and protecting group strategies. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of such complex molecules, reducing production costs and improving scalability.

In terms of applications, this compound has shown promise in several areas. Its ability to act as a building block for more complex molecules makes it valuable in combinatorial chemistry and high-throughput screening campaigns. Furthermore, its unique electronic properties make it suitable for use in materials science, particularly in the development of novel semiconductors and optoelectronic devices.

Recent research has also explored the environmental fate and toxicity of 3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yli)propaneamine, highlighting its potential impact on ecosystems. Studies indicate that while it exhibits moderate biodegradability under certain conditions, further investigation is required to fully understand its long-term effects on aquatic and terrestrial environments.

In conclusion, CAS No. 1006454-49 represents a cutting-edge compound with diverse applications across multiple disciplines. Its intricate structure and functional groups make it an attractive target for researchers seeking innovative solutions in drug discovery, materials science, and beyond. As ongoing studies continue to uncover new insights into its properties and uses, this compound is poised to play an increasingly important role in advancing modern chemistry.

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