Basic information
- Standard SMILES
CC(=O)CCCCn1cc(NC(=O)/C=C/c2ccccc2Cl)cn1- InChIKey
APOSBMCOVHDIDR-MDZDMXLPSA-N- Molecular formula
- C18H20ClN3O2
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.1244046
Names & identifiers
- Preferred name
- (E)-3-(2-Chloro-phenyl)-N-[1-(5-oxo-hexyl)-1H-pyrazol-4-yl]-acrylamide
- IUPAC
- (E)-3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
Names & synonyms
SCHEMBL1166147APOSBMCOVHDIDR-MDZDMXLPSA-N(E)-3-(2-Chloro-phenyl)-N-[1-(5-oxo-hexyl)-1H-pyrazol-4-yl]-acrylamide
Database identifiers
- PubChem CID
- 66928253
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
1 records
Compound notes
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