Basic information
- Standard SMILES
NC(=O)c1ccc(Cn2cc(Br)cn2)cc1- InChIKey
BSTFIRJVYUHZMD-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O
- Average molar mass
- 280.12 g/mol
- Monoisotopic mass
- 279.00072
Names & identifiers
- Preferred name
- 4-(4-Bromo-pyrazol-1-ylmethyl)-benzamide
- IUPAC
- 4-[(4-bromopyrazol-1-yl)methyl]benzamide
Names & synonyms
1179216-19-34-(4-Bromo-pyrazol-1-ylmethyl)-benzamideBenzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamideSCHEMBL16876149BSTFIRJVYUHZMD-UHFFFAOYSA-NAKOS0102580304-((4-bromo-1H-pyrazol-1-yl)methyl)benzamideA1-02534Z733308398
Database identifiers
- PubChem CID
- 47061331
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
1 records
Compound notes
Loading…