for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)OC)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C |
|---|---|
| IUPAC Name | 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one |
| InChIKey | CLWXOFDABYJHOI-UHFFFAOYSA-N |
| INCHI | 1S/C30H30N4O5/c1-18-25(29(35)33(31-18)21-12-8-6-9-13-21)27(20-16-23(37-3)28(39-5)24(17-20)38-4)26-19(2)32-34(30(26)36)22-14-10-7-11-15-22/h6-17,27,31-32H,1-5H3 |
| Molecular Weight | 526.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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 | 526.600 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 526.222 Da |
| Monoisotopic Mass | 526.222 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 910.000 |
| 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 |
![5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one , CAS No.299919-79-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)