3-(4-chlorophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C23H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H17N4O2Cl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H17ClN4O2/c24-18-11-9-17(10-12-18)21-14-22(27-26-21)23(29)28-25-15-16-5-4-8-20(13-16)30-19-6-2-1-3-7-19/h1-15H,(H,26,27)(H,28,29) |
| InChIK | QANFLFWRQVNPEG-UHFFFAOYSA-N |
| TotalMolweight | 416.867 |
| Molweight | 416.867 |
| MonoisotopicMass | 416.104003 |
| CLogP | 4.901 |
| CLogS | -7.129 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 320.26 |
| Relative PSA | 0.2216 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.5777 |
| 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 | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-chlorophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(4-chlorophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off