Basic information
- CAS
75304-78-8- Standard SMILES
Cc1nn(C(=O)c2ccncc2)c(C)c1N=Nc1cccc2ccccc12- InChIKey
HEPXLIKYCWRDBQ-UHFFFAOYSA-N- Molecular formula
- C21H17N5O
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.14331018
Names & identifiers
- Preferred name
- {3,5-Dimethyl-4-[(E)-(naphthalen-1-yl)diazenyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
- IUPAC
- [3,5-dimethyl-4-(naphthalen-1-yldiazenyl)pyrazol-1-yl]-pyridin-4-ylmethanone
Names & synonyms
NSC29572275304-78-8DTXSID40315645NSC-295722{3,5-Dimethyl-4-[(E)-(naphthalen-1-yl)diazenyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone[3,5-dimethyl-4-[(E)-1-naphthylazo]pyrazol-1-yl]-(4-pyridyl)methanone4-({3,5-Dimethyl-4-[(E)-1-naphthyldiazenyl]-1H-pyrazol-1-yl}carbonyl)pyridine
Database identifiers
- CAS
75304-78-8- PubChem CID
- 326044
- DTXSID
DTXSID40315645
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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