Basic information
- Standard SMILES
COc1cccc(/C=C/C(=O)Nc2ccn(CCCCC(C)(F)F)n2)c1OC- InChIKey
PNMUJARNAATYRC-MDZDMXLPSA-N- Molecular formula
- C20H25F2N3O3
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- (E)-N-[1-(5,5-Difluoro-hexyl)-1H-pyrazol-3-yl]-3-(2,3-dimethoxy-phenyl)-acrylamide
- IUPAC
- (E)-N-[1-(5,5-difluorohexyl)pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
Names & synonyms
(E)-N-[1-(5,5-Difluoro-hexyl)-1H-pyrazol-3-yl]-3-(2,3-dimethoxy-phenyl)-acrylamideSCHEMBL1168192
Database identifiers
- PubChem CID
- 66929619
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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