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Basic information
- Standard SMILES
CC(C)CC(Nc1nn(C)cc1Br)C(=O)NCC#N- InChIKey
FGUZVSUTYPESBD-UHFFFAOYSA-N- Molecular formula
- C12H18BrN5O
- Average molar mass
- 328.21 g/mol
Names & identifiers
- Preferred name
- 2-[(4-bromo-1-methylpyrazol-3-yl)amino]-N-(cyanomethyl)-4-methylpentanamide
- IUPAC
- 2-[(4-bromo-1-methylpyrazol-3-yl)amino]-N-(cyanomethyl)-4-methylpentanamide
Names & synonyms
SCHEMBL4701578
Database identifiers
- PubChem CID
- 87715729
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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