Basic information
- CAS
345952-27-4- Standard SMILES
CSc1ccccc1NC(=O)c1c(Br)cnn1C- InChIKey
SVRSFVIKPMGKOW-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3OS
- Average molar mass
- 326.21 g/mol
- Monoisotopic mass
- 324.98845
Names & identifiers
- Preferred name
- 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
- IUPAC
- 4-bromo-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
Names & synonyms
345952-27-44-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide4-Bromo-1-methyl-N-(2-(methylthio)phenyl)-1H-pyrazole-5-carboxamideRefChem:2905234-bromo-1-methyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-5-carboxamideSMR0000413004-bromo-2-methyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamideMLS000027645MLS002581264CHEMBL1370596DTXSID001163370HMS2299K13
Show more names
STL356290AKOS022122016NCGC00019024-01NCGC00019024-02NCGC00019024-03EU-0005059SR-01000000970SR-01000000970-2
Database identifiers
- CAS
345952-27-4- PubChem CID
- 660362
- DTXSID
DTXSID001163370- ChEMBL
CHEMBL1370596
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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