AC1N0IZE
2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: 2-amino-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|AK-968/41017416|2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile|2-AMINO-4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE|2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydroc hromene-3-carbonitrile
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.1743 g/mol |
| LogP | 2.6623 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1743 |
| Monoisotopic Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 820.5621 |
Chemical Identifiers
| CAS Number | 492425-29-3 |
|---|---|
| SMILES | CCN1C(=C(C=N1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C |
Product Overview
AC1N0IZE (CAS 492425-29-3), with molecular formula C18H22N4O2 and molecular weight 326.1743 g/mol. IUPAC: 2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.