Basic information
- CAS
492456-85-6- Standard SMILES
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1- InChIKey
PULORYAAHFMPTA-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2N3O
- Average molar mass
- 418.4 g/mol
Names & identifiers
- Preferred name
- 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
- IUPAC
- 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
- English name
- 2-(1-adamantyl)-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]acetamide
- Molecular formula
- C22H25Cl2N3O
- Molecular weight
- 418.3594
Names & synonyms
2-(1-adamantyl)-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]acetamide2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamideSTK317345AKOS003985698AK-968/41022187N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide492456-85-6
Database identifiers
- CAS
492456-85-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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