Basic information
- Standard SMILES
Cc1cc(NC(=O)c2c(C)n(CC(C)(C)O)n(-c3ccccc3)c2=O)ccc1-c1cccc2cnccc12- InChIKey
IVYKBVQFUNWRQM-UHFFFAOYSA-N- Molecular formula
- C31H30N4O3
- Average molar mass
- 506.6 g/mol
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-2-methylpropyl)-N-(4-(5-isoquinolinyl)-3-methylphenyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
- IUPAC
- 1-(2-hydroxy-2-methylpropyl)-N-(4-isoquinolin-5-yl-3-methylphenyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL2952003IVYKBVQFUNWRQM-UHFFFAOYSA-N1-(2-Hydroxy-2-methylpropyl)-N-(4-(5-isoquinolinyl)-3-methylphenyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 24998963
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 911
Related reactions
2 records
Compound notes
Loading…