N-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H16N4O |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H16N4O/c26-21(20-13-19(23-24-20)16-8-2-1-3-9-16)25-22-14-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,23,24)(H,25,26) |
| InChIK | ZDHWKDMQORQOHC-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 4.0938 |
| CLogS | -5.702 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.68 |
| Relative PSA | 0.22608 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off