3-(4-bromophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H11N4OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H11N4OBrCl2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H11BrCl2N4O/c18-12-4-1-10(2-5-12)15-8-16(23-22-15)17(25)24-21-9-11-3-6-13(19)7-14(11)20/h1-9H,(H,22,23)(H,24,25) |
| InChIK | URVDAFNYYYDGIE-UHFFFAOYSA-N |
| TotalMolweight | 438.111 |
| Molweight | 438.111 |
| MonoisotopicMass | 435.949326 |
| CLogP | 4.8366 |
| CLogS | -6.402 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.55 |
| Relative PSA | 0.21427 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-bromophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(4-bromophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off