5-acetyl-1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4one

HCID 20146599
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Basic information

Standard SMILES
CC(=O)C1CCc2c(cnn2Cc2ccccc2)C1=O
InChIKey
GFGXQRAHDLAVSH-UHFFFAOYSA-N
Molecular formula
C16H16N2O2
Average molar mass
268.31 g/mol
Monoisotopic mass
268.12117776

Names & identifiers

Preferred name
5-acetyl-1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4one
IUPAC
5-acetyl-1-benzyl-6,7-dihydro-5H-indazol-4-one

Names & synonyms

SCHEMBL9218244GFGXQRAHDLAVSH-UHFFFAOYSA-N5-acetyl-1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4one

Database identifiers

PubChem CID
20146599

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
52 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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