Cas no 956950-95-1 (2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine)
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-ethanamine, 1,3,5-trimethyl-
- [2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)ethyl]amine
- 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine
- 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-amine
- MFCD06804125
- AKOS003672593
- F8881-7357
- 956950-95-1
- NS-01184
- 2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
- 2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-ethylamine, AldrichCPR
- 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanamine
- EN300-36145
- BBL030687
- SCHEMBL26050756
- G28546
- STK803585
-
- MDL: MFCD06804125
- Inchi: 1S/C8H15N3/c1-6-8(4-5-9)7(2)11(3)10-6/h4-5,9H2,1-3H3
- InChI Key: YKNKANAAYSLJMA-UHFFFAOYSA-N
- SMILES: N1(C)C(C)=C(C(C)=N1)CCN
Computed Properties
- Exact Mass: 153.126597491g/mol
- Monoisotopic Mass: 153.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 127
- 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: 43.8?2
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- 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)
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B536695-10mg |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B536695-50mg |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B536695-100mg |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 100mg |
$ 230.00 | 2022-06-07 | ||
| abcr | AB412615-500 mg |
[2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)ethyl]amine |
956950-95-1 | 500mg |
€406.00 | 2023-06-16 | ||
| abcr | AB412615-1 g |
[2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)ethyl]amine |
956950-95-1 | 1g |
€489.50 | 2023-06-16 | ||
| Enamine | EN300-36145-0.05g |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 95.0% | 0.05g |
$72.0 | 2025-03-18 | |
| Enamine | EN300-36145-0.1g |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 95.0% | 0.1g |
$108.0 | 2025-03-18 | |
| Enamine | EN300-36145-0.25g |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 95.0% | 0.25g |
$154.0 | 2025-03-18 | |
| Enamine | EN300-36145-0.5g |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 95.0% | 0.5g |
$243.0 | 2025-03-18 | |
| Enamine | EN300-36145-1.0g |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine |
956950-95-1 | 95.0% | 1.0g |
$311.0 | 2025-03-18 |
2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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
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4. 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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine
Professional Introduction to 2-(Trimethyl-1H-pyrazol-4-yl)ethan-1-amine (CAS No. 956950-95-1)
2-(Trimethyl-1H-pyrazol-4-yl)ethan-1-amine, a compound with the CAS number 956950-95-1, represents a significant advancement in the field of pharmaceutical chemistry and medicinal biology. This compound, characterized by its unique structural and chemical properties, has garnered considerable attention due to its potential applications in drug discovery and therapeutic development. The trimethyl-1H-pyrazol-4-yl moiety embedded within its molecular framework is particularly noteworthy, as it introduces a versatile scaffold that can be modulated for enhanced biological activity and selectivity.
The pyrazole ring, a heterocyclic aromatic compound, is widely recognized for its role in medicinal chemistry due to its stability and the ability to engage in various hydrogen bonding interactions. The introduction of methyl groups at the 1-position of the pyrazole ring in 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine not only enhances its lipophilicity but also opens up possibilities for further functionalization. This compound has been extensively studied for its pharmacological properties, particularly in the context of inhibiting enzymes and receptors involved in inflammatory and neurological disorders.
Recent research has highlighted the compound's potential as a lead candidate for developing novel therapeutics. Studies have demonstrated that derivatives of this molecule exhibit significant inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the inflammatory response. The trimethyl group at the 1-position of the pyrazole ring has been shown to enhance binding affinity to these enzymes, thereby improving therapeutic efficacy.
In addition to its anti-inflammatory properties, 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine has shown promise in treating neurological disorders. Preclinical studies have indicated that this compound can modulate neurotransmitter activity by interacting with specific receptors in the brain. The ability of the pyrazole scaffold to cross the blood-brain barrier makes it an attractive candidate for central nervous system (CNS) drug development. Furthermore, its structural flexibility allows for further derivatization to optimize pharmacokinetic profiles and minimize side effects.
The synthesis of 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the trimethyl group necessitates careful selection of reagents and catalysts to ensure high yield and purity. Advanced synthetic techniques, such as transition metal-catalyzed cross-coupling reactions, have been employed to streamline the process and improve efficiency. These methods not only enhance the scalability of production but also allow for greater control over molecular architecture.
The pharmacological activity of 2-(trimethyl-1H-pyrazol-4-yl)ethan-1-amine has been further explored through computational modeling and molecular dynamics simulations. These studies have provided valuable insights into how the compound interacts with biological targets at a molecular level. By understanding these interactions, researchers can design more effective derivatives with improved therapeutic properties. The integration of computational chemistry with experimental pharmacology has significantly accelerated the drug discovery process.
In conclusion, 2-(trimethyl-1H-pyrazol-4-ylenthananecarbonitrile) represents a promising candidate for further development in pharmaceutical applications. Its unique structural features, combined with its demonstrated biological activity, make it an attractive molecule for drug design. Ongoing research continues to uncover new therapeutic possibilities, underscoring the importance of continued investigation into this class of compounds.
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