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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.
| Canonical Smiles | CC1=NC2=C(C=NN2C(=C1)N3CCN(CC3)CC(=C)C)C4=CC=CC=C4OC |
|---|---|
| IUPAC Name | 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine |
| InChIKey | LNIFZJWBHQEQGC-UHFFFAOYSA-N |
| INCHI | 1S/C22H27N5O/c1-16(2)15-25-9-11-26(12-10-25)21-13-17(3)24-22-19(14-23-27(21)22)18-7-5-6-8-20(18)28-4/h5-8,13-14H,1,9-12,15H2,2-4H3 |
| Molecular Weight | 377.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Phenylpyrazoles Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles N-alkylpiperazines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 377.500 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 377.222 Da |
| Monoisotopic Mass | 377.222 Da |
| Topological Polar Surface Area | 45.900 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 535.000 |
| 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-(2-Methoxyphenyl)-5-methyl-7-(4-(2-methylallyl)piperazin-1-yl)pyrazolo[1,5-a]pyrimidine , CAS No.902316-43-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)