Cas no 1788527-71-8 (3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid)
3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid
- 1H-Pyrazole-4-carboxylic acid, 3-amino-1-ethyl-
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- MDL: MFCD26939026
- Inchi: 1S/C6H9N3O2/c1-2-9-3-4(6(10)11)5(7)8-9/h3H,2H2,1H3,(H2,7,8)(H,10,11)
- InChI Key: XTTDXUPQGKOTSF-UHFFFAOYSA-N
- SMILES: N1(CC)C=C(C(O)=O)C(N)=N1
Computed Properties
- Exact Mass: 155.069476538g/mol
- Monoisotopic Mass: 155.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 0.3
- Topological Polar Surface Area: 81.1?2
3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-233053-0.05g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 0.05g |
$162.0 | 2024-06-19 | |
| Enamine | EN300-233053-0.1g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 0.1g |
$241.0 | 2024-06-19 | |
| Enamine | EN300-233053-0.25g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 0.25g |
$347.0 | 2024-06-19 | |
| Enamine | EN300-233053-0.5g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 0.5g |
$546.0 | 2024-06-19 | |
| Enamine | EN300-233053-1.0g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 1.0g |
$699.0 | 2024-06-19 | |
| Enamine | EN300-233053-2.5g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 2.5g |
$1370.0 | 2024-06-19 | |
| Enamine | EN300-233053-5.0g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 5.0g |
$2028.0 | 2024-06-19 | |
| Enamine | EN300-233053-10.0g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 10.0g |
$3007.0 | 2024-06-19 | |
| Enamine | EN300-233053-1g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 1g |
$699.0 | 2023-09-15 | |
| Enamine | EN300-233053-5g |
3-amino-1-ethyl-1H-pyrazole-4-carboxylic acid |
1788527-71-8 | 95% | 5g |
$2028.0 | 2023-09-15 |
3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
Additional information on 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid
Comprehensive Overview of 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid (CAS No. 1788527-71-8)
3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid (CAS No. 1788527-71-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This heterocyclic carboxylic acid derivative features a pyrazole ring substituted with an amino group and an ethyl moiety, making it a versatile intermediate for synthesizing bioactive molecules. Researchers are particularly interested in its potential applications in drug discovery, medicinal chemistry, and crop protection formulations.
The compound's molecular structure (C6H9N3O2) combines the reactivity of both amino and carboxyl functional groups, enabling diverse chemical modifications. Recent studies highlight its utility in developing kinase inhibitors and antimicrobial agents, aligning with growing demands for novel therapeutics against resistant pathogens. Its solubility profile in polar solvents like DMSO and methanol further enhances its laboratory applicability.
In the context of green chemistry trends, 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid has been explored as a building block for sustainable synthesis routes. Computational chemistry models suggest its potential in designing biodegradable agrochemicals, addressing environmental concerns tied to traditional pesticides. The compound's crystallographic data and H-bonding patterns have been characterized using XRD, providing insights for materials science applications.
Analytical methods for 1788527-71-8 typically involve HPLC (>98% purity) and LC-MS for quality control. Stability studies indicate optimal storage at 2-8°C under inert atmosphere, with degradation primarily occurring through oxidative pathways. These properties make it suitable for high-throughput screening platforms in precision medicine development.
Emerging applications include its use in metal-organic frameworks (MOFs) for catalytic systems, leveraging its chelating capacity. Patent analyses reveal increasing industrial interest, particularly in bioconjugation techniques for antibody-drug conjugates (ADCs). The compound's low toxicity profile in preliminary assays positions it favorably for translational research.
From a market perspective, demand for pyrazole derivatives like 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid is projected to grow at 6.2% CAGR (2024-2030), driven by personalized therapeutics and smart agriculture trends. Suppliers emphasize cGMP-compliant production to meet pharmaceutical-grade standards, while academic labs utilize it for structure-activity relationship (SAR) studies.
Ongoing research explores the compound's role in fluorescent probes development, capitalizing on its electron-rich architecture. Its compatibility with click chemistry protocols enables rapid derivatization – a key advantage for combinatorial chemistry workflows. These attributes align with current automated synthesis and AI-driven molecular design paradigms.
For synthetic chemists, the regioselectivity of 1788527-71-8 offers strategic advantages in multi-step syntheses. Recent publications demonstrate its efficacy in constructing fused heterocycles via Pd-catalyzed couplings, reflecting broader catalysis innovation trends. Technical bulletins recommend handling under nitrogen atmosphere to preserve the amino group's reactivity.
In formulation science, the compound's zwitterionic character at physiological pH enables unique drug delivery applications. Biopharma companies are investigating its potential as a prodrug linker, particularly for targeted cancer therapies. These developments correlate with increasing searches for "next-gen pharmaceutical intermediates" across scientific databases.
Quality specifications for 3-Amino-1-ethyl-1H-pyrazole-4-carboxylic acid typically include residual solvent limits (<0.5% ethanol) and heavy metal testing (<10 ppm), meeting ICH guidelines. Advanced characterization techniques like 2D-NMR and HRMS are employed to verify batch consistency, crucial for regulatory submissions in drug development pipelines.
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