Basic information
- CAS
72017-28-8- Standard SMILES
Cc1c(Nc2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C- InChIKey
JYIFZPNXQAAJAR-UHFFFAOYSA-N- Molecular formula
- C21H19N3O
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.15281224
Names & identifiers
- Preferred name
- Naphthopyrin
- IUPAC
- 1,5-dimethyl-4-(naphthalen-2-ylamino)-2-phenylpyrazol-3-one
Names & synonyms
NAPHTHOPYRIN72017-28-8DTXSID40222300RefChem:365469DTXCID001447911,5-Dimethyl-4-[(naphthalen-2-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
72017-28-8- PubChem CID
- 51480
- DTXSID
DTXSID40222300
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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