N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-phenylpropanamide
Basic information
- CAS
5882-47-3- Standard SMILES
CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1)C(=O)CCc1ccccc1- InChIKey
HNXZSNOWMYZQFV-UHFFFAOYSA-N- Molecular formula
- C29H38N4O3
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.29439109
Names & identifiers
- Preferred name
- N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-phenylpropanamide
- IUPAC
- N-butyl-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-phenylpropanamide
Names & synonyms
5882-47-3N-butyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-phenylpropanamideDTXSID20409571N-Butyl-N-(2-{[3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-phenylpropanamide
Database identifiers
- CAS
5882-47-3- PubChem CID
- 5201901
- DTXSID
DTXSID20409571
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…