3-(3-phenylmethoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C23H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-phenylmethoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3-phenylmethoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H19N5O2 |
| Smiles | O=C(c1cc(-c2cc(OCc3ccccc3)ccc2)n[nH]1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C23H19N5O2/c29-23(28-25-15-17-9-11-24-12-10-17)22-14-21(26-27-22)19-7-4-8-20(13-19)30-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,26,27)(H,28,29) |
| InChIK | KPCUKYLFGFAISA-UHFFFAOYSA-N |
| TotalMolweight | 397.437 |
| Molweight | 397.437 |
| MonoisotopicMass | 397.153875 |
| CLogP | 3.2466 |
| CLogS | -4.642 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 317.36 |
| Relative PSA | 0.25819 |
| PolarSurfaceArea | 92.26 |
| Druglikeness | 5.3264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| 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 | 3 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3-phenylmethoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3-phenylmethoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off