3-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H20N4O2 |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H20N4O2/c29-24(22-15-21(26-27-22)19-11-5-2-6-12-19)28-25-16-20-13-7-8-14-23(20)30-17-18-9-3-1-4-10-18/h1-16H,17H2,(H,26,27)(H,28,29) |
| InChIK | AKQSRASEVJHMPL-UHFFFAOYSA-N |
| TotalMolweight | 396.449 |
| Molweight | 396.449 |
| MonoisotopicMass | 396.158626 |
| CLogP | 4.2475 |
| CLogS | -5.437 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 318.6 |
| Relative PSA | 0.22276 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.3264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off