Basic information
- Standard SMILES
COc1cccc(C=CC(=O)Nc2ccn(CCCCC(C)(F)F)n2)c1OC- InChIKey
PNMUJARNAATYRC-UHFFFAOYSA-N- Molecular formula
- C20H25F2N3O3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.18639799
Names & identifiers
- Preferred name
- N-[1-(5,5-difluorohexyl)pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
- IUPAC
- N-[1-(5,5-difluorohexyl)pyrazol-3-yl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL1168195
Database identifiers
- PubChem CID
- 66929620
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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