AC1NTSCC
4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: CBMicro_026232|BAS 00641338|BIM-0026203.P001|4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one|(4E)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one|(4Z)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one|4-{[(4-chlorophenyl)amino]methylene}-3-methyl-1-phenyl-1,2-diazolin-5-one|(Z)-4-(((4-chlorophenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one|4-{[(4-chlorophenyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one|(4Z)-4-{[(4-chlorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H14ClN3O |
|---|---|
| Molecular Weight | 311.08255 g/mol |
| LogP | 3.87802 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.08255 |
| Monoisotopic Mass | 311.08255 |
| Heavy Atoms | 22 |
| Complexity | 861.16974 |
Chemical Identifiers
| CAS Number | 68178-58-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)Cl |
Product Overview
AC1NTSCC (CAS 68178-58-5), with molecular formula C17H14ClN3O and molecular weight 311.08255 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
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