Basic information
- Standard SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(Br)cc1F- InChIKey
OMJWQKZWNUGRRF-UHFFFAOYSA-N- Molecular formula
- C24H23BrClFN4O
- Average molar mass
- 517.8 g/mol
- Monoisotopic mass
- 516.07278
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluorobenzyl)-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
- IUPAC
- N-[3-[4-[(4-bromo-2-fluorophenyl)methyl]-3-butyl-5-cyanopyrazol-1-yl]-4-chlorophenyl]propanamide
Names & synonyms
SCHEMBL9594360OMJWQKZWNUGRRF-UHFFFAOYSA-N4-(4-Bromo-2-fluorobenzyl)-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
Database identifiers
- PubChem CID
- 19783143
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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