N-[2-[[5-Tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)adamantane-1-carboxamide
Basic information
- CAS
5886-49-7- Standard SMILES
Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)CN(CCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
ARCWJRVSJYAITH-UHFFFAOYSA-N- Molecular formula
- C35H44N4O2
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.34642666
Names & identifiers
- Preferred name
- N-[2-[[5-Tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)adamantane-1-carboxamide
- IUPAC
- N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)adamantane-1-carboxamide
Names & synonyms
5886-49-7N-[2-[[5-Tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)adamantane-1-carboxamideN-(2-{[3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)adamantane-1-carboxamideDTXSID90411429AKOS021601365N-(2-{[3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Database identifiers
- CAS
5886-49-7- PubChem CID
- 5225873
- DTXSID
DTXSID90411429
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 896
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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