3-(4-Dodecylphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Basic information
- CAS
60627-76-1- Standard SMILES
CCCCCCCCCCCCc1ccc(-c2nn(C)c(-c3ccccc3)c2OCCC)cc1- InChIKey
QXOVCZNDMXWSMH-UHFFFAOYSA-N- Molecular formula
- C31H44N2O
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.34536403
Names & identifiers
- Preferred name
- 3-(4-Dodecylphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
- IUPAC
- 3-(4-dodecylphenyl)-1-methyl-5-phenyl-4-propoxypyrazole
Names & synonyms
60627-76-1DTXSID308218013-(4-Dodecylphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Database identifiers
- CAS
60627-76-1- PubChem CID
- 71400530
- DTXSID
DTXSID30821801
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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