5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Formula:C17H14N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | 5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide |
| MolecularFormula | C17H14N5OCl |
| Smiles | Nc(n(-c1ccccc1)nc1)c1C(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C17H14ClN5O/c18-13-8-6-12(7-9-13)10-20-22-17(24)15-11-21-23(16(15)19)14-4-2-1-3-5-14/h1-11H,19H2,(H,22,24) |
| InChIK | NXSPIVTYUQAVFI-UHFFFAOYSA-N |
| TotalMolweight | 339.785 |
| Molweight | 339.785 |
| MonoisotopicMass | 339.088687 |
| CLogP | 2.6505 |
| CLogS | -4.793 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.65 |
| Relative PSA | 0.26723 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 6.5227 |
| 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 | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide | 2 - 5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off