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 Chemical and Physical Properties
Names and Identifiers
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- 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 |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 100MG |
€231.60 | 2022-03-01 | ||
| abcr | AB501833-250 mg |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 250MG |
€275.80 | 2022-03-01 | ||
| abcr | AB501833-500 mg |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 500MG |
€409.30 | 2022-03-01 | ||
| abcr | AB501833-1 g |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 1g |
€486.60 | 2022-03-01 | ||
| abcr | AB501833-5 g |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 5g |
€1,185.30 | 2022-03-01 | ||
| Chemenu | CM487427-1g |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 97% | 1g |
$262 | 2022-06-14 | |
| Chemenu | CM487427-5g |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 97% | 5g |
$779 | 2022-06-14 | |
| Enamine | EN300-232206-0.05g |
1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 95% | 0.05g |
$88.0 | 2024-06-20 | |
| Enamine | EN300-232206-0.1g |
1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 95% | 0.1g |
$132.0 | 2024-06-20 | |
| Enamine | EN300-232206-0.25g |
1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one |
1174850-21-5 | 95% | 0.25g |
$188.0 | 2024-06-20 |
1-(1,3-dimethyl-1H-pyrazol-4-yl)hexan-1-one Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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