≥90% 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 | CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3 |
|---|---|
| IUPAC Name | 4-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide |
| InChIKey | NJRHNVJZMDOEEZ-UHFFFAOYSA-N |
| INCHI | 1S/C20H19N3O2/c1-14-6-2-3-8-17(14)19(24)15-12-18(23-13-15)20(25)22-11-9-16-7-4-5-10-21-16/h2-8,10,12-13,23H,9,11H2,1H3,(H,22,25) |
| Isomeric SMILES | CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3 |
| PubChem CID | 1489182 |
| Molecular Weight | 333.39 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Pyrrole carboxamides Benzoyl derivatives 2-heteroaryl carboxamides Toluenes Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - 2-heteroaryl carboxamide - Benzoyl - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 333.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 333.148 Da |
| Monoisotopic Mass | 333.148 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 468.000 |
| 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 |
![4-(2-methylbenzoyl)-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide - ≥90% , CAS No.439120-77-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)