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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.
| Sonrisas canónicas | CC1=NC2=C(C(=NN2C(=C1)NCCCN3C=CN=C3)C)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine |
| InChIKey | WOTGUOGOEKRSLA-UHFFFAOYSA-N |
| INCHI | 1S/C20H21ClN6/c1-14-12-18(23-8-3-10-26-11-9-22-13-26)27-20(24-14)19(15(2)25-27)16-4-6-17(21)7-5-16/h4-7,9,11-13,23H,3,8,10H2,1-2H3 |
| Peso molecular | 380.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Imidazole - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 380.900 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 380.152 Da |
| Monoisotopic Mass | 380.152 Da |
| Topological Polar Surface Area | 60.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine , CAS No.877783-50-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)