Cas no 1094484-55-5 (3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde)
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-(difluoromethyl)-1-methyl-1H-Pyrazole-4-carboxaldehyde
- 1H-Pyrazole-4-carboxaldehyde,3-(difluoromethyl)-1-methyl-
- 1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
- 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
- 3-difluoromethyl-1-methyl-1H-pyrazole-4-carbaldehyde
- 4-FORMYL-3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE
- 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
- 1-Methyl-3-difluoromethyl-1H-pyrazole-4-carbaldehyde
- W19135
- 3-(DIFLUOROMETHYL)-4-FORMYL-1-METHYL-1H-PYRAZOLE
- 1094484-55-5
- AMY12087
- AC-27610
- EN300-219318
- J-005573
- MFCD12827723
- AKOS015898465
- AS-78592
- SCHEMBL1586647
- Z1255447375
- SY198364
- 3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
- DB-059909
- STL589127
-
- MDL: MFCD12827723
- Inchi: 1S/C6H6F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2-3,6H,1H3
- InChI Key: NNHXBZAWJIBFFE-UHFFFAOYSA-N
- SMILES: FC(C1C(C=O)=CN(C)N=1)F
Computed Properties
- Exact Mass: 178.03500
- Monoisotopic Mass: 160.04481914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 154
- 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: 34.9?2
Experimental Properties
- PSA: 34.89000
- LogP: 1.25140
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB556422-1 g |
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde; . |
1094484-55-5 | 1g |
€502.80 | 2022-07-29 | ||
| Chemenu | CM188452-100mg |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95+% | 100mg |
$272 | 2021-08-05 | |
| Chemenu | CM188452-250mg |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95+% | 250mg |
$324 | 2021-08-05 | |
| Chemenu | CM188452-1g |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95+% | 1g |
$666 | 2021-08-05 | |
| Chemenu | CM188452-1g |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95%+ | 1g |
$473 | 2023-02-03 | |
| Chemenu | CM188452-100mg |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95%+ | 100mg |
$167 | 2023-02-03 | |
| Chemenu | CM188452-250mg |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 95%+ | 250mg |
$214 | 2023-02-03 | |
| eNovation Chemicals LLC | D684810-1G |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 97% | 1g |
$260 | 2024-07-21 | |
| eNovation Chemicals LLC | D684810-5G |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 97% | 5g |
$830 | 2024-07-21 | |
| eNovation Chemicals LLC | D684810-10G |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
1094484-55-5 | 97% | 10g |
$1625 | 2024-07-21 |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
Additional information on 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
Professional Introduction to Compound with CAS No. 1094484-55-5 and Product Name: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
The compound with the CAS number 1094484-55-5 and the product name 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde represents a significant advancement in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered considerable attention due to its potential applications in drug development and synthetic chemistry. The presence of a difluoromethyl group and a carbaldehyde functionality makes it a versatile intermediate, offering opportunities for further derivatization and exploration in various biochemical pathways.
In recent years, the pharmaceutical industry has witnessed a surge in the demand for novel heterocyclic compounds that exhibit enhanced biological activity. Among these, pyrazole derivatives have emerged as a crucial class of molecules due to their broad spectrum of pharmacological properties. The compound in question, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, is no exception. Its molecular structure incorporates elements that are known to contribute to favorable pharmacokinetic profiles, making it an attractive candidate for further investigation.
The difluoromethyl group is a key feature of this compound, as it is widely recognized for its ability to modulate metabolic stability and binding affinity. This moiety has been extensively studied in the context of drug design, where it is often employed to improve the bioavailability and efficacy of therapeutic agents. The incorporation of this group into the pyrazole framework suggests that the compound may exhibit enhanced interactions with biological targets, thereby opening up possibilities for applications in areas such as antiviral, anti-inflammatory, and anticancer therapies.
Furthermore, the carbaldehyde functionality present in the molecule serves as a reactive site for further chemical transformations. Aldehydes are well-known for their reactivity in organic synthesis, allowing for the facile introduction of various substituents through condensation reactions, oxidation processes, or nucleophilic additions. This reactivity makes 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde a valuable building block for constructing more complex molecular architectures.
Recent studies have highlighted the importance of pyrazole derivatives in medicinal chemistry. These compounds have been shown to possess a wide range of biological activities, including antimicrobial, antifungal, and anti-inflammatory effects. The structural features of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, particularly the combination of the difluoromethyl and carbaldehyde groups, positions it as a promising candidate for further exploration in these contexts.
One particularly intriguing aspect of this compound is its potential role in modulating enzyme activity. Pyrazole derivatives have been reported to interact with various enzymes by occupying specific binding pockets or by influencing enzyme conformational changes. The presence of the difluoromethyl group may enhance these interactions by improving binding affinity or by altering electronic properties at key residues within the enzyme active site. This could lead to the development of novel enzyme inhibitors with therapeutic potential.
The synthesis of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde represents another area of interest within synthetic chemistry. The preparation of this compound involves multiple steps that require careful optimization to ensure high yields and purity. Advances in synthetic methodologies have enabled researchers to access complex heterocyclic structures more efficiently than ever before. Techniques such as transition-metal-catalyzed reactions and asymmetric synthesis have been particularly useful in constructing intricate molecular frameworks like that of this compound.
In conclusion, the compound with CAS number 1094484-55-5 and product name 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde represents a significant contribution to the field of chemical biology and drug development. Its unique structural features make it a versatile intermediate with potential applications across multiple therapeutic areas. As research continues to uncover new insights into its biological activity and synthetic utility, this compound is poised to play an important role in future advancements.
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