Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone
Basic information
- CAS
21621-75-0- Standard SMILES
CC(=O)c1cnn(-c2cc3ccccc3cn2)c1C- InChIKey
QFURKINDUVMSJB-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone
- IUPAC
- 1-(1-isoquinolin-3-yl-5-methylpyrazol-4-yl)ethanone
Names & synonyms
Methyl 5-methyl-1-(2-quinolyl)-4-pyrazolyl ketone21621-75-0BRN 0750954DTXSID50944223KETONE, METHYL 5-METHYL-1-(2-QUINOLYL)-4-PYRAZOLYL1-[1-(Isoquinolin-3-yl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
Database identifiers
- CAS
21621-75-0- PubChem CID
- 30714
- DTXSID
DTXSID50944223
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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