Basic information
- CAS
60627-53-4- Standard SMILES
CCCCCOc1c(-c2ccccc2)nn(C)c1-c1ccccc1- InChIKey
HUUZCYDTXJWLCV-UHFFFAOYSA-N- Molecular formula
- C21H24N2O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.18886339
Names & identifiers
- Preferred name
- 1-Methyl-4-(pentyloxy)-3,5-diphenyl-1H-pyrazole
- IUPAC
- 1-methyl-4-pentoxy-3,5-diphenylpyrazole
Names & synonyms
60627-53-41-Methyl-4-(pentyloxy)-3,5-diphenyl-1H-pyrazoleDTXSID80821816
Database identifiers
- CAS
60627-53-4- PubChem CID
- 71400545
- DTXSID
DTXSID80821816
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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