3-(3,4-dichlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C21H14N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-(3,4-dichlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-(3,4-dichlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H14N4OCl2 |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H14Cl2N4O/c22-17-9-8-14(10-18(17)23)19-11-20(26-25-19)21(28)27-24-12-15-6-3-5-13-4-1-2-7-16(13)15/h1-12H,(H,25,26)(H,27,28) |
| InChIK | YPONTWPFEJVQAM-UHFFFAOYSA-N |
| TotalMolweight | 409.275 |
| Molweight | 409.275 |
| MonoisotopicMass | 408.054465 |
| CLogP | 5.3058 |
| CLogS | -7.174 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.52 |
| Relative PSA | 0.20288 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3,4-dichlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3,4-dichlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off