Basic information
- Standard SMILES
Cc1ccccc1-n1nc(C(C)(C)C)c(Br)c1N- InChIKey
GXRUKSQOYCMTGD-UHFFFAOYSA-N- Molecular formula
- C14H18BrN3
- Average molar mass
- 308.22 g/mol
- Monoisotopic mass
- 307.06841
Names & identifiers
- Preferred name
- 4-bromo-3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
- IUPAC
- 4-bromo-3-tert-butyl-1-(2-methylphenyl)pyrazol-5-amine
Names & synonyms
SCHEMBL5008554GXRUKSQOYCMTGD-UHFFFAOYSA-NAKOS0189268904-bromo-3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine4bromo-3-tert-butyl-1-(2-methylphenyl)-1h-pyrazol-5-amine
Database identifiers
- PubChem CID
- 58958601
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
3 records
Compound notes
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