Cas no 1174850-21-5 (1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one)

1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one is a specialized organic compound featuring a pyrazole core substituted with a hexanone moiety. Its structural design, incorporating both a heterocyclic ring and an aliphatic ketone, makes it a versatile intermediate in synthetic chemistry. The compound is particularly valued for its potential applications in pharmaceuticals and agrochemicals, where its reactivity enables the construction of complex molecular frameworks. The presence of the 1,3-dimethylpyrazole group enhances stability while allowing selective functionalization. This compound is suitable for use in fine chemical synthesis, offering a balance of reactivity and handling safety under controlled conditions. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications.
1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one structure
1174850-21-5 structure
Product Name:1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one
CAS No:1174850-21-5
MF:C11H18N2O
MW:194.273422718048
MDL:MFCD11215389
CID:3159761
PubChem ID:45602123
Update Time:2025-06-14

1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one
    • EN300-232206
    • 1-(1,3-dimethylpyrazol-4-yl)hexan-1-one
    • STK510322
    • 1174850-21-5
    • CS-0297446
    • AKOS005169058
    • MDL: MFCD11215389
    • Inchi: 1S/C11H18N2O/c1-4-5-6-7-11(14)10-8-13(3)12-9(10)2/h8H,4-7H2,1-3H3
    • InChI Key: PTEJOFAWIXLOTL-UHFFFAOYSA-N
    • SMILES: O=C(C1=CN(C)N=C1C)CCCCC

Computed Properties

  • Exact Mass: 194.141913202Da
  • Monoisotopic Mass: 194.141913202Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 194
  • 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: 2.2
  • Topological Polar Surface Area: 34.9?2

1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB501833-100 mg
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1174850-21-5
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€231.60 2022-03-01
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AB501833-250 mg
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AB501833-500 mg
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AB501833-1 g
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Enamine
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Additional information on 1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one

Comprehensive Overview of 1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one (CAS No. 1174850-21-5)

1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one (CAS No. 1174850-21-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This ketone derivative, featuring a 1,3-dimethyl-1H-pyrazole moiety, is widely studied for its potential applications in drug discovery and material science. Researchers are particularly interested in its role as a building block for synthesizing bioactive molecules, given its ability to modulate molecular interactions.

The compound's hexan-1-one backbone provides excellent solubility in organic solvents, making it a versatile intermediate in synthetic chemistry. Recent studies highlight its utility in designing enzyme inhibitors and ligands for receptor binding, aligning with the growing demand for precision therapeutics. With the rise of AI-driven drug discovery, computational models frequently reference 1174850-21-5 as a candidate for virtual screening libraries, addressing queries like "best pyrazole derivatives for medicinal chemistry" or "CAS No. 1174850-21-5 applications."

From an industrial perspective, 1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one is valued for its stability under various reaction conditions. Its synthesis often involves Pd-catalyzed cross-coupling or microwave-assisted reactions, topics frequently searched by synthetic chemists. Environmental considerations also drive interest in greener synthesis methods for this compound, reflecting broader trends in green chemistry and sustainable manufacturing.

Analytical characterization of CAS No. 1174850-21-5 typically employs NMR spectroscopy and mass spectrometry, with data often shared in open-access databases to support collaborative research. The compound’s structure-activity relationship (SAR) is a hot topic in forums discussing "pyrazole-based drug design," underscoring its relevance in modern pharmacology.

In conclusion, 1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one represents a critical scaffold in advanced chemical research. Its multifaceted applications—from pharmaceutical intermediates to material science additives—make it a compound of enduring scientific and commercial interest, perfectly positioned at the intersection of innovation and practicality.

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