Basic information
- CAS
312311-20-9- Standard SMILES
Cc1nn(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1Br- InChIKey
UMNFCIANMZQSRN-UHFFFAOYSA-N- Molecular formula
- C20H18Br3N3O
- Average molar mass
- 556.1 g/mol
- Monoisotopic mass
- 552.9
Names & identifiers
- Preferred name
- 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
- IUPAC
- 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Names & synonyms
312311-20-91-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-olTCMDC-1241641-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)-2-propanol3,6-Dibromo-alpha-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-9H-carbazole-9-ethanolOprea1_190225Oprea1_745058GNF-Pf-4980CHEMBL527141DTXSID001129643STK529458AKOS001603934
Show more names
AKOS0163327231-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-olEU-0036309ST50231891AG-690/11172044SR-01000414377SR-01000414377-13,6-Dibromo-I+/--[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-9H-carbazole-9-ethanol
Database identifiers
- CAS
312311-20-9- PubChem CID
- 2859627
- DTXSID
DTXSID001129643- ChEMBL
CHEMBL527141
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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