Cas no 1004644-54-5 (3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid)
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid
- 3-(5-Methyl-4-nitro-pyrazol-1-yl)propanoic acid
- 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
- STK313253
- 3-(5-methyl-4-nitropyrazol-1-yl)propanoic acid
- SCHEMBL16975408
- EQB64454
- AKOS015922281
- CS-0262718
- EN300-83569
- BBL039274
- AKOS000308170
- MFCD03419618
- 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoicacid
- 1004644-54-5
- DTXSID401253125
- 5-Methyl-4-nitro-1H-pyrazole-1-propanoic acid
-
- MDL: MFCD03419618
- Inchi: 1S/C7H9N3O4/c1-5-6(10(13)14)4-8-9(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)
- InChI Key: CWXDCDBVUHQQRI-UHFFFAOYSA-N
- SMILES: OC(CCN1C(C)=C(C=N1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 199.059306g/mol
- Monoisotopic Mass: 199.059306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- 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
- Molecular Weight: 199.16g/mol
- XLogP3: -0.1
- Topological Polar Surface Area: 101?2
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 028127-250mg |
3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid |
1004644-54-5 | 95% | 250mg |
£182.00 | 2022-02-28 | |
| Fluorochem | 028127-1g |
3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid |
1004644-54-5 | 95% | 1g |
£363.00 | 2022-02-28 | |
| Fluorochem | 028127-5g |
3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid |
1004644-54-5 | 95% | 5g |
£963.00 | 2022-02-28 | |
| Enamine | EN300-83569-0.05g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 0.05g |
$112.0 | 2023-09-02 | |
| Enamine | EN300-83569-0.1g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 0.1g |
$167.0 | 2023-09-02 | |
| Enamine | EN300-83569-0.25g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 0.25g |
$238.0 | 2023-09-02 | |
| Enamine | EN300-83569-0.5g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 0.5g |
$376.0 | 2023-09-02 | |
| Enamine | EN300-83569-1.0g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 1.0g |
$482.0 | 2023-02-11 | |
| Enamine | EN300-83569-2.5g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 2.5g |
$781.0 | 2023-09-02 | |
| Enamine | EN300-83569-5.0g |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid |
1004644-54-5 | 95% | 5.0g |
$1279.0 | 2023-02-11 |
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
Comprehensive Overview of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid (CAS No. 1004644-54-5)
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid (CAS No. 1004644-54-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitro-substituted pyrazole derivative is widely studied for its potential applications in drug discovery and material science. The compound's unique structure, featuring a 5-methyl-4-nitro-1H-pyrazole core linked to a propanoic acid moiety, makes it a versatile intermediate for synthesizing biologically active molecules.
Researchers are increasingly exploring 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid due to its role in developing novel enzyme inhibitors and antimicrobial agents. Recent studies highlight its potential in addressing antibiotic resistance, a critical global health concern. The nitro group in its structure contributes to its reactivity, enabling diverse chemical transformations. This property aligns with the growing demand for sustainable synthetic methodologies in green chemistry.
The compound's CAS No. 1004644-54-5 serves as a unique identifier in chemical databases, facilitating accurate tracking in supply chains and regulatory documentation. Analytical techniques like HPLC and NMR spectroscopy are essential for characterizing its purity, particularly when used in pharmaceutical applications where stringent quality control is required. These methods ensure compliance with Good Manufacturing Practice (GMP) standards.
In material science, 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid has shown promise in designing functional polymers with tailored properties. Its ability to participate in click chemistry reactions makes it valuable for creating advanced materials with applications in drug delivery systems and biodegradable plastics. This aligns with the circular economy principles gaining traction in sustainable development discussions.
From a commercial perspective, the compound's synthesis and scalability are subjects of ongoing optimization efforts. Process chemists focus on reducing environmental impact while maintaining cost-effectiveness—key considerations for manufacturers responding to the pharmaceutical industry's demand for eco-friendly intermediates. The propanoic acid segment enhances water solubility, an important factor in bioavailability studies for new drug candidates.
Quality assurance protocols for CAS No. 1004644-54-5 involve rigorous stability testing under various storage conditions. This ensures reliable performance in downstream applications, whether in academic research or industrial production. The compound's shelf life and compatibility with common solvents are frequently addressed in technical inquiries from procurement specialists.
Emerging applications of 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid include its use in proteomics research and as a building block for fluorescent probes. These applications capitalize on its structural features to develop tools for biological imaging and diagnostic assays. Such innovations contribute to personalized medicine advancements, a trending topic in healthcare technology.
Regulatory aspects surrounding this compound emphasize proper handling procedures and material safety data sheet (MSDS) compliance. While not classified as hazardous under standard protocols, appropriate laboratory practices are recommended when working with nitro-containing compounds. This reflects the broader industry shift toward enhanced safety culture in chemical research facilities.
The global market for pyrazole derivatives like 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid continues to expand, driven by pharmaceutical innovation and agricultural chemistry needs. Market analysts note increasing R&D investments in this chemical space, particularly for developing next-generation therapeutics targeting chronic diseases. Patent landscapes reveal growing intellectual property activity around related compound families.
Future research directions may explore the compound's potential in nanotechnology applications, where its molecular structure could facilitate precise nanomaterial functionalization. This aligns with the scientific community's focus on interdisciplinary approaches to solve complex challenges in medicine and environmental science. The versatility of CAS No. 1004644-54-5 ensures its continued relevance across multiple scientific domains.
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