Basic information
- Standard SMILES
COc1ccc(-n2nc(CCBr)cc2-c2ccc(C)cc2)cc1- InChIKey
YRNDRNSULVUWED-UHFFFAOYSA-N- Molecular formula
- C19H19BrN2O
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.06808
Names & identifiers
- Preferred name
- 3-bromoethyl-1-(4-methoxy-phenyl)-5-p-tolyl-1H-pyrazole
- IUPAC
- 3-(2-bromoethyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
Names & synonyms
SCHEMBL4007612YRNDRNSULVUWED-UHFFFAOYSA-N3-bromoethyl-1-(4-methoxy-phenyl)-5-p-tolyl-1H-pyrazole
Database identifiers
- PubChem CID
- 68875063
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Related reactions
4 records
Compound notes
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