Basic information
- Standard SMILES
CN(CCc1ccccc1)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccccc1- InChIKey
VSPXDQKYAIWCCY-UHFFFAOYSA-N- Molecular formula
- C29H34N4O
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 5-(Methyl-phenethyl-amino)-1-phenyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
- IUPAC
- N-(2-adamantyl)-5-[methyl(2-phenylethyl)amino]-1-phenylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL3072088VSPXDQKYAIWCCY-UHFFFAOYSA-N5-(Methyl-phenethyl-amino)-1-phenyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
Database identifiers
- PubChem CID
- 25205010
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
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