AC1NV5WE
2-(4-chlorophenyl)-5-ethoxy-4-(pyridin-3-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: Bionet1_000299|DivK1c_002315|HMS568K21|KS-000038SM|CDS1_001275|2-(4-chlorophenyl)-5-ethoxy-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one|5C-092|2-(4-chlorophenyl)-5-ethoxy-4-(pyridin-3-ylmethyliminomethyl)-1H-pyrazol-3-one|(4Z)-1-(4-chlorophenyl)-3-ethoxy-4-({[(pyridin-3-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one|(4Z)-2-(4-chlorophenyl)-5-ethoxy-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one|2-(4-chlorophenyl)-5-ethoxy-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C18H17ClN4O2 |
|---|---|
| Molecular Weight | 356.104 g/mol |
| LogP | 3.2318 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.104 |
| Monoisotopic Mass | 356.104 |
| Heavy Atoms | 25 |
| Complexity | 914.49915 |
Chemical Identifiers
| CAS Number | 338751-19-2 |
|---|---|
| SMILES | CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=NCC3=CN=CC=C3 |
Product Overview
AC1NV5WE (CAS 338751-19-2), with molecular formula C18H17ClN4O2 and molecular weight 356.104 g/mol. IUPAC: 2-(4-chlorophenyl)-5-ethoxy-4-(pyridin-3-ylmethyliminomethyl)-1H-pyrazol-3-one.