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Basic Description
| Synonyms | 3-Methylpyrazole | 5-methyl-1H-pyrazole | 1453-58-3 | 3-Methyl-1H-pyrazole | 88054-14-2 | 1H-Pyrazole,5-methyl- | 1H-Pyrazole, 3-methyl- | 5-Methylpyrazole | 3(5)-Methylpyrazole | 1H-Pyrazole, 5-methyl- | Pyrazole, 5-methyl- | PYRAZOLE, 3-METHYL- | methylpyrazole | 3-Methyl pyrazo |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 5-methyl-1H-pyrazole |
|---|---|
| INCHI | InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6) |
| InChIKey | XKVUYEYANWFIJX-UHFFFAOYSA-N |
| Smiles | CC1=CC=NN1 |
| Isomeric SMILES | CC1=CC=NN1 |
| WGK Germany | 3 |
| RTECS | UQ7340000 |
| UN Number | 2810 |
| Molecular Weight | 82.1 |
| Beilstein | 1454 |
| Reaxy-Rn | 605628 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605628&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | air sensitive |
|---|---|
| Refractive Index | 1.495 |
| Flash Point(°F) | 199.4 °F |
| Flash Point(°C) | 93 °C |
| Boil Point(°C) | 204°C |
| Molecular Weight | 82.100 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 82.0531 Da |
| Monoisotopic Mass | 82.0531 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 44.800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Bin Chen, Hegang Shu, Yujun Guo, Yingjie Xu. (2025) CO2 capture and viscosity of metal chelate-based ionic liquids: Influence of the structure and substitution of the azole-based anion. JOURNAL OF MOLECULAR LIQUIDS, 417 (126574). |
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