≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)CCC(=O)O |
|---|---|
| IUPAC Name | 3-(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid |
| InChIKey | CRYXPDKBYQJFLN-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N4O3/c19-12(20)7-6-11-16-13-10(14(21)17-11)8-15-18(13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,20)(H,16,17,21) |
| Molecular Weight | 284.270 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[3,4-d]pyrimidines Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 284.270 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 284.091 Da |
| Monoisotopic Mass | 284.091 Da |
| Topological Polar Surface Area | 96.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| 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 |
![3-(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid - ≥98% , CAS No.307341-29-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)