Basic information
- CAS
108221-15-4- Standard SMILES
c1ccc(-c2n[nH]c(-c3ccccc3)c2C23CC4CC(CC(C4)C2)C3)cc1- InChIKey
FTJQUOIXWJODIH-UHFFFAOYSA-N- Molecular formula
- C25H26N2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.20959884
Names & identifiers
- Preferred name
- 3,5-Diphenyl-4-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazole
- IUPAC
- 4-(1-adamantyl)-3,5-diphenyl-1H-pyrazole
Names & synonyms
3,5-Diphenyl-4-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazoleDTXSID401204259108221-15-44-(Adamantan-1-yl)-3,5-diphenyl-1H-pyrazole
Database identifiers
- CAS
108221-15-4- PubChem CID
- 13675784
- DTXSID
DTXSID401204259
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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