Basic information
- CAS
60627-60-3- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1c(-c2ccccc2)nn(C)c1-c1ccccc1- InChIKey
BGSIBYZYEMBMKH-UHFFFAOYSA-N- Molecular formula
- C34H50N2O
- Average molar mass
- 502.8 g/mol
- Monoisotopic mass
- 502.39231422
Names & identifiers
- Preferred name
- 1-Methyl-4-(octadecyloxy)-3,5-diphenyl-1H-pyrazole
- IUPAC
- 1-methyl-4-octadecoxy-3,5-diphenylpyrazole
Names & synonyms
60627-60-31-Methyl-4-(octadecyloxy)-3,5-diphenyl-1H-pyrazoleDTXSID80821811
Database identifiers
- CAS
60627-60-3- PubChem CID
- 71400540
- DTXSID
DTXSID80821811
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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