≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504751508 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751508 |
| Sorrisi canonici | CC1=NNC(=O)C1 |
| IUPAC Name | 3-methyl-1,4-dihydropyrazol-5-one |
| InChIKey | NHLAPJMCARJFOG-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7) |
| Isomeri SMILES | CC1=NNC(=O)C1 |
| WGK Germania | 3 |
| RTECS | UQ9451500 |
| Peso molecolare | 98.1 |
| Beilstein | 24(2)8 |
| Reaxy-Rn | 606503 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606503&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Azolines |
| Subclass | Pyrazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolones |
| Alternative Parents | Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrazolinone - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 C1812078 | Certificate of Analysis | Oct 14, 2025 | M121614 |
| B2519060 | Certificate of Analysis | Feb 21, 2025 | M121614 |
| B1321003 | Certificate of Analysis | Oct 12, 2024 | M121614 |
| B2511228 | Certificate of Analysis | May 09, 2024 | M121614 |
| B2511275 | Certificate of Analysis | May 09, 2024 | M121614 |
| B2524408 | Certificate of Analysis | May 09, 2024 | M121614 |
| Punto di fusione (°C) | 222°C |
|---|---|
| Peso molecolare | 98.100 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.048 Da |
| Monoisotopic Mass | 98.048 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| 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 |
| 1. Dongxue Huo, Jincheng Dai, Siyu Yuan, Xiaoqing Cheng, Yonggui Pan, Lu Wang, Ruimin Wang. (2023) Eco-friendly simultaneous extraction of pectins and phenolics from passion fruit (Passiflora edulis Sims) peel: Process optimization, physicochemical properties, and antioxidant activity. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37301339] [10.1016/j.ijbiomac.2023.125229] |
