Basic information
- CAS
299162-77-9- Standard SMILES
Cc1ccccc1-n1nccc1-c1ccccc1- InChIKey
TZVUIZYHRKAXOI-UHFFFAOYSA-N- Molecular formula
- C16H14N2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.11569846
Names & identifiers
- Preferred name
- 1-(2-Methylphenyl)-5-phenyl-1H-pyrazole
- IUPAC
- 1-(2-methylphenyl)-5-phenylpyrazole
Names & synonyms
1-(2-Methylphenyl)-5-phenyl-1H-pyrazoleDTXSID401271690AKOS0106265691H-Pyrazole, 1-(2-methylphenyl)-5-phenyl-299162-77-9
Database identifiers
- CAS
299162-77-9- PubChem CID
- 61369093
- DTXSID
DTXSID401271690- Nikkaji
- J1.403.952J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…