[4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl]-(2-chloro-6-fluorobenzyl)amine
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Basic information
- Standard SMILES
CCc1cc(-c2cccnc2)nn1-c1ccc(NCc2c(F)cccc2Cl)cc1- InChIKey
JQEQGNBYJGTFOJ-UHFFFAOYSA-N- Molecular formula
- C23H20ClFN4
- Average molar mass
- 406.9 g/mol
Names & identifiers
- Preferred name
- [4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl]-(2-chloro-6-fluorobenzyl)amine
- IUPAC
- N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)aniline
Names & synonyms
SCHEMBL7241965JQEQGNBYJGTFOJ-UHFFFAOYSA-N[4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl]-(2-chloro-6-fluorobenzyl)amine
Database identifiers
- PubChem CID
- 18677149
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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