≥98% 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 | CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])Cl |
|---|---|
| IUPAC Name | 5-chloro-3-ethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
| InChIKey | AAKJCBNEUOKKTQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H14ClN5O/c1-2-11-8-17-20-13(6-12(15)18-14(11)20)16-7-10-4-3-5-19(21)9-10/h3-6,8-9,16H,2,7H2,1H3 |
| Isomeric SMILES | CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])Cl |
| PubChem CID | 21066372 |
| Molecular Weight | 303.75 |
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 | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Halopyrimidines Aminopyrimidines and derivatives Pyridinium derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[1,5-a]pyrimidine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Pyrimidine - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Organic salt - Organic nitrogen compound - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 303.750 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 303.089 Da |
| Monoisotopic Mass | 303.089 Da |
| Topological Polar Surface Area | 67.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| 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-(((5-Chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide - ≥98% , CAS No.779353-65-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)