Cas no 886851-64-5 (1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole)
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole,1-methyl-3-(3-nitrophenyl)-
- 1-methyl-3-(3-nitrophenyl)pyrazole
- BUTTPARK 16\04-72
- 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole
- 1-METHYL-3-(3-NITROPHENYL)PYRAZOLE(WS204313)
- 1H-Pyrazole, 1-methyl-3-(3-nitrophenyl)-
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- MDL: MFCD00665958
- Inchi: 1S/C10H9N3O2/c1-12-6-5-10(11-12)8-3-2-4-9(7-8)13(14)15/h2-7H,1H3
- InChI Key: AEXWKVVHYKZHND-UHFFFAOYSA-N
- SMILES: N1(C)C=CC(C2=CC=CC([N+]([O-])=O)=C2)=N1
Computed Properties
- Exact Mass: 203.069476538g/mol
- Monoisotopic Mass: 203.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 1.7
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.29±0.1 g/cm3(Predicted)
- Boiling Point: 363.2±25.0 °C(Predicted)
- pka: 0.91±0.10(Predicted)
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole Security Information
- Hazard Statement: Irritant
-
Hazardous Material Identification:
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M350770-10mg |
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole |
886851-64-5 | 10mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M350770-50mg |
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole |
886851-64-5 | 50mg |
$ 115.00 | 2022-06-03 | ||
| TRC | M350770-100mg |
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole |
886851-64-5 | 100mg |
$ 185.00 | 2022-06-03 | ||
| Apollo Scientific | OR9822-1g |
1-Methyl-3-(3-nitrophenyl)pyrazole |
886851-64-5 | 1g |
£219.00 | 2025-02-21 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1386141-1g |
1-Methyl-3-(3-nitrophenyl)-1H-pyrazole |
886851-64-5 | 97% | 1g |
¥2021.00 | 2024-04-26 | |
| A2B Chem LLC | AB96593-1g |
1-Methyl-3-(3-nitrophenyl)pyrazole |
886851-64-5 | 95%+ | 1g |
$392.00 | 2024-04-19 | |
| A2B Chem LLC | AB96593-5g |
1-Methyl-3-(3-nitrophenyl)pyrazole |
886851-64-5 | 95%+ | 5g |
$1053.00 | 2024-04-19 | |
| A2B Chem LLC | AB96593-10g |
1-Methyl-3-(3-nitrophenyl)pyrazole |
886851-64-5 | 95%+ | 10g |
$1799.00 | 2024-04-19 | |
| Ambeed | A869951-1g |
1-Methyl-3-(3-nitrophenyl)-1H-pyrazole |
886851-64-5 | 97% | 1g |
$1164.0 | 2025-04-15 | |
| abcr | AB248537-5g |
1-Methyl-3-(3-nitrophenyl)pyrazole; . |
886851-64-5 | 5g |
€930.60 | 2025-04-15 |
1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole
Comprehensive Overview of 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole (CAS No. 886851-64-5)
The compound 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole (CAS No. 886851-64-5) is a specialized organic molecule that has garnered significant attention in the fields of medicinal chemistry, material science, and agrochemical research. With its unique structural features, this compound serves as a versatile intermediate in the synthesis of more complex molecules. Its pyrazole core, combined with a nitro-phenyl substituent, makes it a valuable building block for designing compounds with potential biological activity. Researchers are increasingly exploring its applications in drug discovery, particularly in targeting enzymes and receptors involved in inflammatory and metabolic disorders.
One of the most searched questions related to 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole is its role in heterocyclic chemistry. Heterocycles like pyrazoles are pivotal in modern pharmaceuticals due to their ability to mimic natural substrates and interact with biological targets. The presence of the nitro group in this compound further enhances its reactivity, enabling diverse chemical transformations. This aligns with the growing interest in nitro-aromatics as key intermediates in organic synthesis. Recent trends in green chemistry have also spurred investigations into eco-friendly methods for synthesizing such compounds, reducing hazardous byproducts.
Another hot topic tied to CAS No. 886851-64-5 is its potential in material science. The nitro-phenyl moiety can contribute to the development of advanced polymers and coatings with improved thermal stability and optical properties. Searches for "nitro-phenyl pyrazole applications" have surged, reflecting the demand for innovative materials in electronics and nanotechnology. Additionally, the compound’s electron-withdrawing characteristics make it a candidate for designing organic semiconductors, a field gaining traction due to the push for flexible and lightweight electronic devices.
From a medicinal chemistry perspective, 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole is often discussed in forums and research papers for its scaffold’s resemblance to known kinase inhibitors. Kinases are critical targets in cancer therapy, and the search for "pyrazole-based kinase inhibitors" has risen exponentially. The nitro group in this compound can be reduced to an amine, offering a pathway to derivatize the molecule for enhanced bioactivity. This adaptability is crucial for structure-activity relationship (SAR) studies, a trending focus in drug development.
In the realm of agrochemicals, 886851-64-5 is explored for its potential as a precursor to pesticides and herbicides. The pyrazole ring is a common motif in agrochemicals due to its stability and ability to disrupt pest metabolic pathways. Queries like "nitro-phenyl pyrazole agrochemical uses" highlight the agricultural sector’s interest in sustainable pest control solutions. The compound’s lipophilic nature also makes it a candidate for formulating controlled-release agrochemicals, addressing environmental concerns about over-application.
Analytical techniques for characterizing 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole are another area of interest. High-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) are frequently used to verify its purity and structure. Searches for "CAS 886851-64-5 analysis methods" reflect the need for reliable quality control in industrial and academic settings. The compound’s UV-Vis absorption properties are also studied for applications in sensors and dyes, linking to the broader theme of functional materials.
In summary, 1-Methyl-3-(3-nitro-phenyl)-1H-pyrazole (CAS No. 886851-64-5) is a multifaceted compound with applications spanning pharmaceuticals, materials, and agrochemicals. Its pyrazole core and nitro-phenyl group make it a valuable entity in synthetic chemistry, while ongoing research continues to uncover new potentials. As interest in sustainable synthesis and targeted drug design grows, this compound remains a focal point for innovation across multiple scientific disciplines.
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