Basic information
- Standard SMILES
CC(C)(C)c1cc(CCc2ccccc2)n(Cc2ccc(C=O)cc2)n1- InChIKey
LYEDZMORSDEMHN-UHFFFAOYSA-N- Molecular formula
- C23H26N2O
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- 4-{[3-tert-butyl-5-(2-phenylethyl)-1H-pyrazol-1-yl]methyl}benzaldehyde
- IUPAC
- 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzaldehyde
Names & synonyms
SCHEMBL3631831LYEDZMORSDEMHN-UHFFFAOYSA-N4-{[3-tert-butyl-5-(2-phenylethyl)-1H-pyrazol-1-yl]methyl}benzaldehyde
Database identifiers
- PubChem CID
- 23157403
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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