N-[(Z)-benzylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
Formula:C23H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H18N4O |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)n[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H18N4O/c28-23(27-24-16-17-7-3-1-4-8-17)22-15-21(25-26-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-16H,(H,25,26)(H,27,28) |
| InChIK | BFWIDHSEGIDNRR-UHFFFAOYSA-N |
| TotalMolweight | 366.423 |
| Molweight | 366.423 |
| MonoisotopicMass | 366.148061 |
| CLogP | 4.5586 |
| CLogS | -6.182 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.84 |
| Relative PSA | 0.20679 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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