3-Bromo-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide
Basic information
- CAS
312745-93-0- Standard SMILES
Cc1cc(C)n(C(=O)CNC(=O)c2cccc(Br)c2)n1- InChIKey
PRVRUHGFWWJEGA-UHFFFAOYSA-N- Molecular formula
- C14H14BrN3O2
- Average molar mass
- 336.18 g/mol
- Monoisotopic mass
- 335.02694
Names & identifiers
- Preferred name
- 3-Bromo-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide
- IUPAC
- 3-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
Names & synonyms
3-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide312745-93-03-Bromo-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)benzamideRefChem:2777103-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamideMLS001075934CHEMBL1866948DTXSID701170435HMS2929I11STK015713AKOS005377703SMR000646139
Show more names
SR-01000439034SR-01000439034-1
Database identifiers
- CAS
312745-93-0- PubChem CID
- 916124
- DTXSID
DTXSID701170435- ChEMBL
CHEMBL1866948
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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