3,4-Dimethyl-1-(propan-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one
Basic information
- CAS
88550-00-9- Standard SMILES
Cc1cc(=O)oc2c1c(C)nn2C(C)C- InChIKey
YGWJTTWKARZBNM-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1-(propan-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one
- IUPAC
- 3,4-dimethyl-1-propan-2-ylpyrano[3,2-d]pyrazol-6-one
Names & synonyms
88550-00-9CHEMBL150693DTXSID106584903,4-Dimethyl-1-(propan-2-yl)pyrano[2,3-c]pyrazol-6(1H)-one
Database identifiers
- CAS
88550-00-9- PubChem CID
- 44367277
- DTXSID
DTXSID10658490- ChEMBL
CHEMBL150693
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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