AC1OBKRW
1-[(4-chlorophenyl)methyl]-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-3-nitropyrazole-5-carboxamide
Also Known As: AK-968/41025989|1-(4-chlorobenzyl)-3-nitro-N'-[(1-methyl-1H-pyrazol-5-yl)methylene]-1H-pyrazole-5-carbohydrazide|2-[(4-chlorophenyl)methyl]-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-5-nitropyrazole-3-carboxamide|1-(4-chlorobenzyl)-N'-[(E)-(1-methyl-1H-pyrazol-5-yl)methylidene]-3-nitro-1H-pyrazole-5-carbohydrazide|1-(4-CHLOROBENZYL)-N'-[(E)-1-(1-METHYL-1H-PYRAZOL-5-YL)METHYLIDENE]-3-NITRO-1H-PYRAZOLE-5-CARBOHYDRAZIDE
| Molecular Formula | C16H14ClN7O3 |
|---|---|
| Molecular Weight | 387.08466 g/mol |
| LogP | 1.9904 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.08466 |
| Monoisotopic Mass | 387.08466 |
| Heavy Atoms | 27 |
| Complexity | 1007.4528 |
Chemical Identifiers
| CAS Number | 494745-75-4 |
|---|---|
| SMILES | CN1C(=CC=N1)/C=N/NC(=O)C2=CC(=NN2CC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1OBKRW (CAS 494745-75-4), with molecular formula C16H14ClN7O3 and molecular weight 387.08466 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-3-nitropyrazole-5-carboxamide.