Basic information
- CAS
6106-78-1- Standard SMILES
Cc1ccc(-n2nc(C)c3c(=O)oc(C)cc32)cc1- InChIKey
YMYXLDKNAKLCAR-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 3,6-dimethyl-1-(4-methylphenyl)pyrano[4,3-c]pyrazol-4(1H)-one
- IUPAC
- 3,6-dimethyl-1-(4-methylphenyl)pyrano[3,4-d]pyrazol-4-one
Names & synonyms
3,6-dimethyl-1-(4-methylphenyl)pyrano[4,3-c]pyrazol-4(1H)-one6106-78-13,6-dimethyl-1-(4-methylphenyl)pyrano[4,3-c]pyrazol-4-oneCBMicro_005338Oprea1_487114DTXSID80976557SMSF0014065CCG-17649STK330335AKOS005438392CB07421ST037565
Show more names
BIM-0005272.P001SR-01000451284SR-01000451284-13,6-dimethyl-1-(4-methylphenyl)pyrano[3,4-d]pyrazol-4-one
Database identifiers
- CAS
6106-78-1- PubChem CID
- 723367
- DTXSID
DTXSID80976557
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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