Basic information
- CAS
94375-42-5- Standard SMILES
O=c1[nH]ncc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1Cl- InChIKey
VYKFOOVZPKSUMZ-UHFFFAOYSA-N- Molecular formula
- C19H13ClN4O
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0777887
Names & identifiers
- Preferred name
- 4-chloro-5-(3,5-diphenyl-1H-pyrazol-1-yl)pyridazin-3(2H)-one
- IUPAC
- 5-chloro-4-(3,5-diphenylpyrazol-1-yl)-1H-pyridazin-6-one
Names & synonyms
94375-42-54-chloro-5-(3,5-diphenyl-1H-pyrazol-1-yl)pyridazin-3(2H)-oneNSC690535-chloro-4-(3,5-diphenylpyrazol-1-yl)-1H-pyridazin-6-oneDTXSID40290504NSC-69053Z667938076
Database identifiers
- CAS
94375-42-5- PubChem CID
- 250065
- DTXSID
DTXSID40290504
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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