Cas no 1190380-50-7 (4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole)
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 4-nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
- 4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole
- 1190380-50-7
- 4-Nitro-1-(tetrahydro-pyran-4-yl)-1H-pyrazole
- 4-nitro-1-(oxan-4-yl)pyrazole
- DTXSID101238629
- EN300-170651
- CS-0142553
- 4-Nitro-1-(oxan-4-yl)-1H-pyrazole
- 4-nitro-1-tetrahydropyran-4-yl-pyrazole
- SCHEMBL1559387
- WNGOPKGWJNIWCU-UHFFFAOYSA-N
- DB-316673
-
- Inchi: 1S/C8H11N3O3/c12-11(13)8-5-9-10(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2
- InChI Key: WNGOPKGWJNIWCU-UHFFFAOYSA-N
- SMILES: O1CCC(CC1)N1C=C(C=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.08004122g/mol
- Monoisotopic Mass: 197.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 0.4
- Topological Polar Surface Area: 72.9?2
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N565140-1g |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 1g |
$ 170.00 | 2022-06-03 | ||
| TRC | N565140-10g |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 10g |
$ 1360.00 | 2022-06-03 | ||
| A2B Chem LLC | AE15289-50mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 50mg |
$131.00 | 2024-04-20 | |
| A2B Chem LLC | AE15289-100mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 100mg |
$179.00 | 2024-04-20 | |
| A2B Chem LLC | AE15289-250mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 250mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AE15289-500mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 500mg |
$418.00 | 2024-04-20 | |
| A2B Chem LLC | AE15289-1g |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 1g |
$546.00 | 2024-04-20 | |
| A2B Chem LLC | AE15289-2.5g |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole |
1190380-50-7 | 95% | 2.5g |
$1034.00 | 2024-04-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1213193-100mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole |
1190380-50-7 | 97% | 100mg |
¥758.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1213193-250mg |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole |
1190380-50-7 | 97% | 250mg |
¥1263.00 | 2024-08-09 |
4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 4-Nitro-1-(tetrahydro-2H-pyran-4-yl-1H-pyrazole
Comprehensive Overview of 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7)
The compound 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7) is a specialized heterocyclic organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structure, combining a nitro-substituted pyrazole ring with a tetrahydro-2H-pyran-4-yl moiety, makes it a versatile intermediate for synthesizing bioactive compounds. Researchers are particularly interested in its potential applications in drug discovery, given its ability to modulate biological targets such as enzymes and receptors.
In recent years, the demand for nitro-substituted heterocycles like 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole has surged due to their role in developing novel therapeutics. For instance, this compound has been explored in the context of anti-inflammatory and antimicrobial agents, aligning with the growing need for new treatments against drug-resistant pathogens. Its pyrazole core is a common pharmacophore in many FDA-approved drugs, further highlighting its relevance in medicinal chemistry.
From a synthetic chemistry perspective, CAS No. 1190380-50-7 serves as a valuable building block for constructing more complex molecules. The tetrahydro-2H-pyran-4-yl group enhances solubility and bioavailability, a critical factor in drug design. This feature resonates with current trends in AI-driven drug discovery, where computational models prioritize compounds with optimal pharmacokinetic properties. As such, this compound is frequently discussed in forums focusing on fragment-based drug design and lead optimization.
Another area of interest is the compound's potential in agrochemical innovation. The nitro group in 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole can undergo selective reductions or displacements, enabling the creation of derivatives with herbicidal or pesticidal activity. This aligns with global efforts to develop sustainable crop protection solutions, a hot topic in agricultural research. Companies investing in green chemistry are particularly keen on such intermediates due to their efficiency and scalability.
Analytical characterization of CAS No. 1190380-50-7 typically involves advanced techniques like NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods ensure the compound meets the stringent quality standards required for pharmaceutical applications. Researchers often search for synthetic protocols and spectral data for this compound, underscoring its importance in laboratory settings.
In summary, 4-Nitro-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole (CAS No. 1190380-50-7) is a multifaceted compound with broad applicability in drug development and agrochemical research. Its structural features and reactivity profile make it a cornerstone in modern synthetic chemistry, addressing pressing challenges in healthcare and agriculture. As scientific inquiries into heterocyclic chemistry and small-molecule therapeutics continue to expand, this compound is poised to remain a focal point of innovation.
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