N-[(Z)-benzylideneamino]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H13N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H13N4OBr |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H13BrN4O/c18-14-8-6-13(7-9-14)15-10-16(21-20-15)17(23)22-19-11-12-4-2-1-3-5-12/h1-11H,(H,20,21)(H,22,23) |
| InChIK | JWSMWCPWCAJEDH-UHFFFAOYSA-N |
| TotalMolweight | 369.221 |
| Molweight | 369.221 |
| MonoisotopicMass | 368.027272 |
| CLogP | 3.6246 |
| CLogS | -4.93 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.71 |
| Relative PSA | 0.24031 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-benzylideneamino]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off