Cas no 70817-25-3 ((1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol)
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-methanol, 3,5-dimethyl-1-(phenylmethyl)-
- (1-benzyl-3,5-dimethylpyrazol-4-yl)methanol
- (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
- EN300-1868857
- DTXSID40588099
- SCHEMBL11548099
- Z228585280
- CS-0354949
- 70817-25-3
- AKOS000124819
-
- Inchi: 1S/C13H16N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3
- InChI Key: BZUCAVSXQMLPFB-UHFFFAOYSA-N
- SMILES: OCC1C(C)=NN(CC2C=CC=CC=2)C=1C
Computed Properties
- Exact Mass: 216.12638
- Monoisotopic Mass: 216.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 216
- 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: 38?2
Experimental Properties
- PSA: 38.05
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1425619-50mg |
(1-Benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methanol |
70817-25-3 | 98% | 50mg |
¥17409.00 | 2024-05-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1425619-100mg |
(1-Benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methanol |
70817-25-3 | 98% | 100mg |
¥18223.00 | 2024-05-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1425619-250mg |
(1-Benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methanol |
70817-25-3 | 98% | 250mg |
¥17582.00 | 2024-05-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1425619-500mg |
(1-Benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methanol |
70817-25-3 | 98% | 500mg |
¥18333.00 | 2024-05-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1425619-1g |
(1-Benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methanol |
70817-25-3 | 98% | 1g |
¥22276.00 | 2024-05-02 | |
| Enamine | EN300-1868857-0.05g |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol |
70817-25-3 | 90% | 0.05g |
$468.0 | 2023-09-18 | |
| Enamine | EN300-1868857-0.1g |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol |
70817-25-3 | 90% | 0.1g |
$490.0 | 2023-09-18 | |
| Enamine | EN300-1868857-0.25g |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol |
70817-25-3 | 90% | 0.25g |
$513.0 | 2023-09-18 | |
| Enamine | EN300-1868857-0.5g |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol |
70817-25-3 | 90% | 0.5g |
$535.0 | 2023-09-18 | |
| Enamine | EN300-1868857-1.0g |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol |
70817-25-3 | 1g |
$884.0 | 2023-06-02 |
(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
Additional information on (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
Introduction to (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol (CAS No. 70817-25-3)
Compound (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol, identified by its CAS number 70817-25-3, is a significant molecule in the field of chemical biology and pharmaceutical research. This compound belongs to the pyrazole class, which is renowned for its diverse biological activities and applications in drug development. The structural features of this molecule, particularly the presence of a benzyl group and dimethyl substituents on the pyrazole ring, contribute to its unique chemical properties and potential therapeutic benefits.
The< strong>benzyl group attached to the pyrazole ring enhances the hydrophobicity of the molecule, making it more soluble in organic solvents and facilitating its interaction with biological targets. Additionally, the dimethyl substituents at the 3 and 5 positions of the pyrazole ring stabilize the electronic structure of the molecule, influencing its reactivity and binding affinity. These structural elements make (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol a valuable scaffold for designing novel compounds with enhanced pharmacological properties.
In recent years, there has been growing interest in pyrazole derivatives due to their broad spectrum of biological activities. Studies have demonstrated that compounds containing the pyrazole moiety exhibit anti-inflammatory, antimicrobial, antiviral, and anticancer effects. The< strong>(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol structure has been explored for its potential in modulating various biological pathways. For instance, research has shown that this compound can interact with enzymes and receptors involved in inflammation and cancer progression.
One of the most compelling aspects of (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol is its ability to serve as a lead compound for drug discovery. By modifying its structure, researchers can generate libraries of derivatives with tailored biological activities. This approach has been successfully applied in several high-throughput screening campaigns to identify novel therapeutic agents. The< strong>methanol moiety at the 4-position of the pyrazole ring provides a reactive site for further functionalization, allowing for the introduction of additional pharmacophores that can enhance binding affinity and selectivity.
The synthesis of< strong>(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include condensation reactions between benzaldehyde derivatives and hydrazine hydrate, followed by methylation and functional group transformations. Advances in synthetic methodologies have enabled more efficient and scalable production of this compound, making it more accessible for research applications.
In academic research, (1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol has been used as a building block for exploring new chemical entities. Its unique structural features make it an attractive candidate for investigating structure-activity relationships (SAR) in drug design. By systematically varying substituents on the pyrazole ring and other parts of the molecule, researchers can gain insights into how different structural elements influence biological activity. This information is crucial for developing more effective drugs with improved pharmacokinetic profiles.
The pharmaceutical industry has also shown interest in< strong>(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol due to its potential as a starting material for novel therapeutics. Several companies have patented derivatives of this compound as part of their drug discovery programs. These efforts aim to develop new treatments for various diseases by leveraging the inherent biological activity of pyrazole derivatives. The compound's versatility makes it a valuable asset in medicinal chemistry libraries used by pharmaceutical researchers.
The< strong>CAS number 70817-25-3 provides a unique identifier for this compound, ensuring accurate documentation and traceability in research settings. This standardized classification system is essential for regulatory compliance and facilitates collaboration among scientists worldwide. The availability of detailed chemical information through databases like CAS allows researchers to access relevant data quickly, accelerating their work in drug development.
Ongoing studies continue to uncover new applications for< strong>(1-benzyl-3,5-dimethyl-1H-pyrazol-4-ylmethanol. Researchers are exploring its potential in treating neurological disorders by investigating its interactions with neurotransmitter receptors. Additionally, its anti-inflammatory properties have been studied as a potential treatment for chronic diseases such as rheumatoid arthritis. These investigations highlight the compound's broad therapeutic potential and underscore its importance in modern medicinal chemistry.
In conclusion,< strong>(1-benzyl-3,5-dimethyl-1H-pyrazol->m)methanol (CAS No.
70817.
-25.
-3), is a versatile compound with significant implications in chemical biology and pharmaceutical research.
Its unique structural features make it an excellent candidate for drug discovery efforts aimed at developing novel therapeutics.
As research continues to uncover new applications for this molecule,
its importance in advancing medical science is likely to grow further.
The< strong>CAS number 70817.
-25.
-3), serves as a reliable identifier,
ensuring that researchers worldwide can access accurate information about this valuable compound.
By leveraging< strong>(1-benzyl-
-3,
,5-
-dimethyl-
-1H-
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