Basic information
- Standard SMILES
Cc1ccc(-c2ccc(-n3cc(Br)cn3)cc2)cc1- InChIKey
QMIVZIMTMHPMIU-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2
- Average molar mass
- 313.19 g/mol
- Monoisotopic mass
- 312.02621
Names & identifiers
- Preferred name
- 4-bromo-1-(4'-methyl-[1,1'-biphenyl]-4-yl)-1H-pyrazole
- IUPAC
- 4-bromo-1-[4-(4-methylphenyl)phenyl]pyrazole
Names & synonyms
SCHEMBL14128469QMIVZIMTMHPMIU-UHFFFAOYSA-N4-bromo-1-(4'-methyl-[1,1'-biphenyl]-4-yl)-1H-pyrazole
Database identifiers
- PubChem CID
- 71078435
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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