≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
CDK inhibitor
| ALogP | 0.008 |
|---|---|
| Nombre de HBD | 1 |
| Liaison rotative | 4 |
| Pubchem Sid | 504763172 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763172 |
| Sourires canoniques | CC(C)CN1C(=O)C=C(N1)CC(=O)O |
| IUPAC Name | 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetic acid |
| InChIKey | ZUHYFPMWZVPVHD-UHFFFAOYSA-N |
| INCHI | 1S/C9H14N2O3/c1-6(2)5-11-8(12)3-7(10-11)4-9(13)14/h3,6,10H,4-5H2,1-2H3,(H,13,14) |
| Isomères SMILES | CC(C)CN1C(=O)C=C(N1)CC(=O)O |
| PubChem CID | 4962216 |
| Poids moléculaire | 198.21906 |
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 | Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazolinone - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 | Date | Article |
|---|---|---|---|
 I2615006 | Certificate of Analysis | Sep 23, 2026 | W418263 |
| G2312727 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312729 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312732 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312734 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312738 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312745 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312747 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312750 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312757 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| G2312815 | Certificate of Analysis | Apr 07, 2026 | W418263 |
| DMSO (mM) Solubilité maximale | 10 |
|---|---|
| Poids moléculaire | 198.220 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 198.1 Da |
| Monoisotopic Mass | 198.1 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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 |
