Cas no 1231258-34-6 (4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one)
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
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- 4-(1-Methyl-1H-pyrazol-4-yl)cyclohexan-1-one
- 4-(1-methylpyrazol-4-yl)cyclohexan-1-one
- Cyclohexanone, 4-(1-methyl-1H-pyrazol-4-yl)-
- 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one
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- MDL: MFCD23132879
- Inchi: 1S/C10H14N2O/c1-12-7-9(6-11-12)8-2-4-10(13)5-3-8/h6-8H,2-5H2,1H3
- InChI Key: PPXSFYFHCAHJSN-UHFFFAOYSA-N
- SMILES: O=C1CCC(C2C=NN(C)C=2)CC1
Computed Properties
- Exact Mass: 178.110613074g/mol
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 195
- 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: 0.5
- Topological Polar Surface Area: 34.9
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD01080032-1g |
4-(1-Methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95% | 1g |
¥6657.0 | 2023-04-04 | |
| Enamine | EN300-315973-0.05g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 0.05g |
$252.0 | 2025-03-19 | |
| Enamine | EN300-315973-0.1g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 0.1g |
$376.0 | 2025-03-19 | |
| Enamine | EN300-315973-0.25g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 0.25g |
$538.0 | 2025-03-19 | |
| Enamine | EN300-315973-0.5g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 0.5g |
$847.0 | 2025-03-19 | |
| Enamine | EN300-315973-1.0g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 1.0g |
$1086.0 | 2025-03-19 | |
| Enamine | EN300-315973-2.5g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 2.5g |
$2127.0 | 2025-03-19 | |
| Enamine | EN300-315973-5.0g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 5.0g |
$3147.0 | 2025-03-19 | |
| Enamine | EN300-315973-10.0g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95.0% | 10.0g |
$4667.0 | 2025-03-19 | |
| Enamine | EN300-315973-1g |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one |
1231258-34-6 | 95% | 1g |
$1086.0 | 2023-09-05 |
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
Additional information on 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one
Introduction to 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one (CAS No: 1231258-34-6)
4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This compound, identified by the CAS number 1231258-34-6, has garnered considerable attention due to its potential applications in drug development and molecular research. The presence of a cyclohexanone moiety fused with a 1-methyl-1H-pyrazole ring imparts distinct chemical and biological characteristics, making it a valuable candidate for further investigation.
The molecular structure of 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one consists of a cyclohexanone core substituted with a 1-methyl-1H-pyrazole group at the fourth position. This configuration contributes to the compound's reactivity and interaction with biological targets. The cyclohexanone ring provides a stable backbone, while the pyrazole moiety introduces hydrogen bonding capabilities and potential binding sites for enzymes and receptors.
Recent advancements in pharmaceutical research have highlighted the importance of heterocyclic compounds in drug design. Among these, pyrazole derivatives have shown promise in various therapeutic areas, including anti-inflammatory, antimicrobial, and anticancer applications. The incorporation of a 1-methyl-1H-pyrazole group into cyclohexanone derivatives has been explored for its ability to modulate biological pathways effectively.
In vitro studies have demonstrated that 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one exhibits notable interactions with specific enzymes and receptors. For instance, its structure suggests potential binding affinity to cytochrome P450 enzymes, which are crucial in drug metabolism. Additionally, the compound's ability to engage with nuclear receptors has been investigated for its role in modulating gene expression.
The synthesis of 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one involves multi-step organic reactions, typically starting from readily available precursors such as cyclohexanone and methylhydrazine derivatives. The introduction of the pyrazole ring is achieved through condensation reactions, followed by functional group transformations to achieve the desired substitution pattern. These synthetic routes highlight the compound's accessibility for further chemical manipulation and derivatization.
One of the most compelling aspects of 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one is its potential as a lead compound in drug discovery. Its unique structural features allow for diverse modifications, enabling researchers to fine-tune its pharmacological properties. For example, variations in the substitution pattern of the pyrazole ring or the introduction of additional functional groups can alter its bioactivity and selectivity.
Current research is exploring the pharmacokinetic profile of this compound to assess its suitability for therapeutic applications. Studies are focused on understanding how 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one is absorbed, distributed, metabolized, and excreted within the body. These investigations are crucial for optimizing dosing regimens and minimizing potential side effects.
The compound's potential therapeutic applications extend beyond traditional pharmaceutical uses. Its structural motifs have been associated with enhanced binding affinity to biological targets, making it a candidate for developing novel treatments for complex diseases. Additionally, its stability under various conditions makes it suitable for formulation into different drug delivery systems.
Collaborative efforts between academic institutions and pharmaceutical companies are driving innovation in the use of 4-(1-methyl-1H-pyrazol-4-yl)cyclohexan-1-one. These partnerships aim to translate laboratory findings into clinical trials, where the compound's efficacy and safety can be rigorously evaluated. Such endeavors underscore the growing interest in this molecule as a promising candidate for future therapeutics.
The regulatory landscape for new drug development also plays a critical role in advancing compounds like 4-(1-methyl-1H-pyrazol-4-y)cyclohexan-on-e. Compliance with regulatory standards ensures that any potential therapeutic applications are safe and effective for patient use. As research progresses, it is expected that this compound will undergo rigorous testing to meet these stringent requirements.
In conclusion, 4-(1-methyl-lH-pyrazol--4-y lcyclohexan-l-one (CAS No: 1231258--34--6) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and potential biological activities make it a valuable asset in drug discovery efforts. Continued research into this compound holds promise for developing innovative treatments across multiple therapeutic areas.
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