Basic information
- Standard SMILES
Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1ncc(Br)nc1N- InChIKey
LJKYQVRHESPGEQ-UHFFFAOYSA-N- Molecular formula
- C13H16BrClN6O
- Average molar mass
- 387.66 g/mol
Names & identifiers
- Preferred name
- 5-tert-butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid (3-amino-5-bromo-pyrazin-2-yl)-amide
- IUPAC
- N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide
Names & synonyms
SCHEMBL2448193LJKYQVRHESPGEQ-UHFFFAOYSA-N5-tert-butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid (3-amino-5-bromo-pyrazin-2-yl)-amide
Database identifiers
- PubChem CID
- 86657413
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
6 records
Compound notes
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