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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 | COC1=C(C=C(C=C1)C2=NN=C3N2C=NC4=C3C=NN4C5=CC=CC=C5)OC |
|---|---|
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene |
| InChIKey | FXOZTDSTLGVRDV-UHFFFAOYSA-N |
| INCHI | 1S/C20H16N6O2/c1-27-16-9-8-13(10-17(16)28-2)18-23-24-20-15-11-22-26(14-6-4-3-5-7-14)19(15)21-12-25(18)20/h3-12H,1-2H3 |
| Peso molecular | 372.4 |
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 | Phenyl-1,2,4-triazoles Dimethoxybenzenes Triazolopyrimidines Pyrazolo[3,4-d]pyrimidines Phenoxy compounds Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Phenyltriazole - Phenyl-1,2,4-triazole - Dimethoxybenzene - O-dimethoxybenzene - Pyrazolopyrimidine - Triazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - 1,2,4-triazole - Triazole - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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 | 372.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 372.133 Da |
| Monoisotopic Mass | 372.133 Da |
| Topological Polar Surface Area | 79.400 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 533.000 |
| 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-(3,4-dimethoxyphenyl)-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine , CAS No.587013-80-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)