Cas no 40534-35-8 (4-ethenyl-1-methyl-1H-pyrazole)
4-ethenyl-1-methyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE, 4-ETHENYL-1-METHYL-
- 1-methyl-4-vinyl-1H-pyrazole
- 4-Ethenyl-1-methyl-1H-pyrazole
- EN300-109728
- F2147-6875
- Z1238836268
- DA-42506
- CS-0058336
- SY140083
- 4-ethenyl-1-methylpyrazole
- PS-19930
- E83474
- MFCD20384539
- 40534-35-8
- AKOS013991241
- SCHEMBL9889435
- DTXSID201305267
- 870-282-5
- 4-ethenyl-1-methyl-1H-pyrazole
-
- MDL: MFCD20384539
- Inchi: 1S/C6H8N2/c1-3-6-4-7-8(2)5-6/h3-5H,1H2,2H3
- InChI Key: NRUZFGSVBJNUEO-UHFFFAOYSA-N
- SMILES: N1(C)C=C(C=C)C=N1
Computed Properties
- Exact Mass: 108.068748264g/mol
- Monoisotopic Mass: 108.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 90.5
- 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
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- Density: 0.9±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 182.2±9.0 °C at 760 mmHg
- Flash Point: 64.0±18.7 °C
- Vapor Pressure: 1.1±0.3 mmHg at 25°C
4-ethenyl-1-methyl-1H-pyrazole Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-ethenyl-1-methyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B126090-10mg |
4-ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B126090-50mg |
4-ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B126090-100mg |
4-ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 100mg |
$ 230.00 | 2022-06-07 | ||
| Chemenu | CM332273-100mg |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 100mg |
$315 | 2021-08-18 | |
| Chemenu | CM332273-250mg |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 250mg |
$526 | 2021-08-18 | |
| Chemenu | CM332273-1g |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 1g |
$1132 | 2021-08-18 | |
| Chemenu | CM332273-100mg |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 100mg |
$315 | 2022-06-11 | |
| Chemenu | CM332273-250mg |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 250mg |
$526 | 2022-06-11 | |
| Chemenu | CM332273-1g |
4-Ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 95%+ | 1g |
$488 | 2023-02-02 | |
| eNovation Chemicals LLC | Y1210515-1G |
4-ethenyl-1-methyl-1H-pyrazole |
40534-35-8 | 97% | 1g |
$315 | 2024-07-21 |
4-ethenyl-1-methyl-1H-pyrazole Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on 4-ethenyl-1-methyl-1H-pyrazole
Introduction to 4-ethenyl-1-methyl-1H-pyrazole (CAS No. 40534-35-8)
4-ethenyl-1-methyl-1H-pyrazole, identified by its Chemical Abstracts Service (CAS) number 40534-35-8, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, a versatile scaffold known for its broad biological activity and structural flexibility, making it a valuable building block in drug discovery and development.
The molecular structure of 4-ethenyl-1-methyl-1H-pyrazole consists of a six-membered aromatic ring containing two nitrogen atoms, with an ethenyl (vinyl) group at the 4-position and a methyl group at the 1-position. This unique arrangement imparts distinct electronic and steric properties to the molecule, which can be exploited for various pharmacological applications. The presence of the ethenyl substituent enhances the compound's reactivity, allowing for further functionalization and derivatization, which is crucial in synthetic chemistry and drug design.
In recent years, 4-ethenyl-1-methyl-1H-pyrazole has been extensively studied for its potential therapeutic effects. Research has demonstrated its efficacy in several biological assays, including anti-inflammatory, antimicrobial, and anticancer properties. The compound's ability to interact with biological targets such as enzymes and receptors makes it a promising candidate for developing novel therapeutic agents.
One of the most compelling aspects of 4-ethenyl-1-methyl-1H-pyrazole is its role in the synthesis of more complex pharmacophores. The pyrazole core is a fundamental motif in many drugs on the market today, including anticonvulsants, antifungals, and anti-inflammatory agents. By incorporating functional groups like the ethenyl and methyl substituents, researchers can fine-tune the pharmacological profile of 4-ethenyl-1-methyl-1H-pyrazole, leading to compounds with enhanced potency and selectivity.
Recent advancements in computational chemistry have further highlighted the significance of 4-ethenyl-1-methyl-1H-pyrazole in drug discovery. Molecular docking studies have revealed that this compound can bind effectively to various protein targets, suggesting its potential as an inhibitor or modulator of key biological pathways. These findings have spurred interest in developing derivatives of 4-ethenyl-1-methyl-1H-pyrazole for treating a wide range of diseases.
The synthesis of 4-ethenyl-1-methyl-1H-pyrazole involves multi-step organic reactions that require precise control over reaction conditions. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group transformations. The availability of high-quality starting materials and advanced catalytic systems has made the synthesis more efficient and scalable, facilitating further research and development.
In conclusion, 4-ethenyl-1-methyl-1H-pyrazole (CAS No. 40534-35-8) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and biological activities make it a valuable tool for drug discovery and development. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in the development of next-generation therapeutics.
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