N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Formula:C24H19N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H19N4O2F |
| Smiles | O=C(c1cc(-c2cc(OCc3ccccc3)ccc2)n[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C24H19FN4O2/c25-20-11-9-17(10-12-20)15-26-29-24(30)23-14-22(27-28-23)19-7-4-8-21(13-19)31-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,27,28)(H,29,30) |
| InChIK | SDBWIXHPEINVIC-UHFFFAOYSA-N |
| TotalMolweight | 414.439 |
| Molweight | 414.439 |
| MonoisotopicMass | 414.149204 |
| CLogP | 4.3483 |
| CLogS | -5.751 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.95 |
| Relative PSA | 0.2184 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.9864 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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