AC1NUL05
2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methylcarbonimidoyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: AK-968/12163409|AK-968/36803054|(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|(E)-2-(benzo[d]thiazol-2-yl)-4-(1-(cyclohexylimino)ethyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one|1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-cyclohexylethanimidoyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol|1-benzothiazol-2-yl-4-[(cyclohexylamino)ethylidene]-3-(trifluoromethyl)-1,2-di azolin-5-one|2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexylethanimidoyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-cyclohexylethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one|2-(1,3-BENZOTHIAZOL-2-YL)-4-[(E)-1-(CYCLOHEXYLAMINO)ETHYLIDENE]-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE|2-(1,3-benzothiazol-2-yl)-4-[1-(cyclohexylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C19H19F3N4OS |
|---|---|
| Molecular Weight | 408.12317 g/mol |
| LogP | 4.9358 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.12317 |
| Monoisotopic Mass | 408.12317 |
| Heavy Atoms | 28 |
| Complexity | 1053.7228 |
Chemical Identifiers
| CAS Number | 353775-57-2 |
|---|---|
| SMILES | CC(=NC1CCCCC1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
AC1NUL05 (CAS 353775-57-2), with molecular formula C19H19F3N4OS and molecular weight 408.12317 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methylcarbonimidoyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.