≥90% 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 | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C4=CC=CC=C4NC3=O |
|---|---|
| IUPAC Name | 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one |
| InChIKey | UBDHHVNTMGVYRZ-UHFFFAOYSA-N |
| INCHI | 1S/C19H16N4O2/c1-12-16(19(25)23(22(12)2)13-8-4-3-5-9-13)21-17-14-10-6-7-11-15(14)20-18(17)24/h3-11H,1-2H3,(H,20,21,24) |
| Isomeric SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3C4=CC=CC=C4NC3=O |
| PubChem CID | 135437122 |
| Molecular Weight | 332.36 |
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 | Alpha amino acids and derivatives Indoles and derivatives Secondary alkylarylamines Pyrazolones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds N-acylimines Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Alpha-amino acid or derivatives - Indole or derivatives - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Lactam - N-acylimine - Carboxylic acid derivative - Azacycle - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Organic oxygen compound - 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 | 332.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 332.127 Da |
| Monoisotopic Mass | 332.127 Da |
| Topological Polar Surface Area | 65.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 648.000 |
| 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 |
