(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-(4-[(methylsulfonyl)methyl]phenyl)acrylamide
Basic information
- Standard SMILES
Cn1ncc(/C=C/C(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1-c1ccc(F)cc1- InChIKey
WQJINTAIUGLFSX-KPKJPENVSA-N- Molecular formula
- C21H20FN3O3S
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- (2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-(4-[(methylsulfonyl)methyl]phenyl)acrylamide
- IUPAC
- (E)-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-[4-(methylsulfonylmethyl)phenyl]prop-2-enamide
Names & synonyms
(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-(4-[(methylsulfonyl)methyl]phenyl)acrylamide(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-{4-[(methylsulfonyl)methyl]phenyl}acrylamideSCHEMBL964017WQJINTAIUGLFSX-KPKJPENVSA-N(2E)-3-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-(4-[(methylsulfonyl) methyl]phenyl)acrylamide
Database identifiers
- PubChem CID
- 10047367
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
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Related reactions
1 records
Compound notes
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