Basic information
- CAS
60627-57-8- Standard SMILES
CCCCCCCCCCOc1c(-c2ccccc2)nn(C)c1-c1ccccc1- InChIKey
QSVMEOCYWZWMPT-UHFFFAOYSA-N- Molecular formula
- C26H34N2O
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.26711371
Names & identifiers
- Preferred name
- 4-(Decyloxy)-1-methyl-3,5-diphenyl-1H-pyrazole
- IUPAC
- 4-decoxy-1-methyl-3,5-diphenylpyrazole
Names & synonyms
60627-57-84-(Decyloxy)-1-methyl-3,5-diphenyl-1H-pyrazoleDTXSID40821812
Database identifiers
- CAS
60627-57-8- PubChem CID
- 71400541
- DTXSID
DTXSID40821812
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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