≥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 | CC(=O)N(C1=NC=NC2=C1C(=NN2C(C)(C)C)C3=CC=C(C=C3)Cl)C(=O)C |
|---|---|
| IUPAC Name | N-acetyl-N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide |
| InChIKey | JRMNCHPFMIBHKT-UHFFFAOYSA-N |
| INCHI | 1S/C19H20ClN5O2/c1-11(26)24(12(2)27)17-15-16(13-6-8-14(20)9-7-13)23-25(19(3,4)5)18(15)22-10-21-17/h6-10H,1-5H3 |
| Isomeric SMILES | CC(=O)N(C1=NC=NC2=C1C(=NN2C(C)(C)C)C3=CC=C(C=C3)Cl)C(=O)C |
| PubChem CID | 1489658 |
| Molecular Weight | 385.85 |
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 |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[3,4-d]pyrimidines Chlorobenzenes Aryl chlorides Pyrimidines and pyrimidine derivatives Imidolactams N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Acetamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Dicarboximide - Acetamide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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 | 385.800 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 385.131 Da |
| Monoisotopic Mass | 385.131 Da |
| Topological Polar Surface Area | 81.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| 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 |
![N-acetyl-N-[1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]acetamide - ≥90% , CAS No.338391-72-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)