HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide
N-[4-[(~{Z})-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide · N-(4-((3-(TERT-BUTYL)-5-OXO-1-PHENYL-2-PYRAZOLIN-4-YLIDENE)METHYL)PHENYL)ETHANAMIDE · N-(4-{[(4Z)-3-tert-butyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl)acetamide · Acetamide, N-[4-[[3-(1,1-dimethylethyl)-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene]methyl]phenyl]-
![N-[4-[(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl]acetamide molecular structure](/img/chemical/178635539.png)
Identifiers & Physical Properties
| CAS No. | 1025561-80-1 |
|---|---|
| Molecular formula | C22H23N3O2 |
| Average molar mass | 361.4 g/mol |
| Monoisotopic mass | 361.17902698 g/mol |
| SMILES | CC(=O)Nc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1 |
| InChIKey | MYOBZJXKSSIVHD-UHFFFAOYSA-N |
| PubChem CID | 4438988 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 61.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 630 |
| Density | 1.138±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 14.567±0.70(predicted) |