AC1NY1NV
methyl 4-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate
Also Known As: KS-00003FD7|9B-118|methyl 4-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}benzenecarboxylate|methyl 4-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate|methyl 4-{[(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}benzoate|methyl 4-[(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methylamino]benzoate|methyl 4-[[(Z)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]benzoate|methyl4-{[(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}benzoate
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11133 g/mol |
| LogP | 2.9072 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11133 |
| Monoisotopic Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 922.14777 |
Chemical Identifiers
| CAS Number | 338975-66-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=C(NNC2=O)C3=CC=CC=C3 |
Product Overview
AC1NY1NV (CAS 338975-66-9), with molecular formula C18H15N3O3 and molecular weight 321.11133 g/mol. IUPAC: methyl 4-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]benzoate.