| Sonrisas canónicas | CC1=CC(=NN1)C2=CC(=C(C=C2)OC)OC |
|---|---|
| IUPAC Name | 3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazole |
| InChIKey | OYNTXFOWGKKKKC-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N2O2/c1-8-6-10(14-13-8)9-4-5-11(15-2)12(7-9)16-3/h4-7H,1-3H3,(H,13,14) |
| Isómeros SMILES | CC1=CC(=NN1)C2=CC(=C(C=C2)OC)OC |
| PubChem CID | 25285415 |
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 | Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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 | 218.250 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.106 Da |
| Monoisotopic Mass | 218.106 Da |
| Topological Polar Surface Area | 47.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
