Basic information
- Standard SMILES
CC(C)(C)n1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c1C(F)(F)F- InChIKey
AWDRDIZACXEMRA-UHFFFAOYSA-N- Molecular formula
- C19H26F3N3O2
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amide
- IUPAC
- 1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
Names & synonyms
1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amideSCHEMBL13293982SCHEMBL13293983AWDRDIZACXEMRA-LNUFHAGESA-NAWDRDIZACXEMRA-WRBLBRPDSA-N
Database identifiers
- PubChem CID
- 58972863
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 602
Related reactions
1 records
Compound notes
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