≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 5-acetamido-1-phenylpyrazole-4-carboxylic acid |
| InChIKey | ZPBKDFIGECOWFC-UHFFFAOYSA-N |
| INCHI | 1S/C12H11N3O3/c1-8(16)14-11-10(12(17)18)7-13-15(11)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)(H,17,18) |
| Molecular Weight | 245.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | N-acetylarylamines Pyrazole carboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - N-acetylarylamine - Pyrazole-4-carboxylic acid or derivatives - N-arylamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic 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 | 245.230 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 245.08 Da |
| Monoisotopic Mass | 245.08 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 329.000 |
| 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 |
