Basic information
- Standard SMILES
C=CCCc1[nH]nc(-c2ccc(C)cc2)c1-c1ccccc1- InChIKey
WKKQVVYVWJMJPE-UHFFFAOYSA-N- Molecular formula
- C20H20N2
- Average molar mass
- 288.4 g/mol
Names & identifiers
- Preferred name
- 5-(But-3-enyl)-4-phenyl-3-p-tolyl-1H-pyrazole
- IUPAC
- 5-but-3-enyl-3-(4-methylphenyl)-4-phenyl-1H-pyrazole
Names & synonyms
SCHEMBL2376414WKKQVVYVWJMJPE-UHFFFAOYSA-N5-(But-3-enyl)-4-phenyl-3-p-tolyl-1H-pyrazole
Database identifiers
- PubChem CID
- 67385341
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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