| Canonical Smiles | CC1=CC(=CC2=C(NN=C12)C=O)OC |
|---|---|
| IUPAC Name | 5-methoxy-7-methyl-2H-indazole-3-carbaldehyde |
| InChIKey | SDNDPPDERRTXAF-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N2O2/c1-6-3-7(14-2)4-8-9(5-13)11-12-10(6)8/h3-5H,1-2H3,(H,11,12) |
| Molecular Weight | 190.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Anisoles Aryl-aldehydes Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Anisole - Phenol ether - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Molecular Weight | 190.200 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.074 Da |
| Monoisotopic Mass | 190.074 Da |
| Topological Polar Surface Area | 55.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
