3-(2,5-dimethoxyphenyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C21H23N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-(2,5-dimethoxyphenyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(2,5-dimethoxyphenyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H23N5O3 |
| Smiles | CN(C)c1ccc(/C=N\NC(c2cc(-c(cc(cc3)OC)c3OC)n[nH]2)=O)cc1 |
| InChI | InChI=1S/C21H23N5O3/c1-26(2)15-7-5-14(6-8-15)13-22-25-21(27)19-12-18(23-24-19)17-11-16(28-3)9-10-20(17)29-4/h5-13H,1-4H3,(H,23,24)(H,25,27) |
| InChIK | MYZNRANBRNHKSS-UHFFFAOYSA-N |
| TotalMolweight | 393.446 |
| Molweight | 393.446 |
| MonoisotopicMass | 393.18009 |
| CLogP | 2.6558 |
| CLogS | -4.168 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.42 |
| Relative PSA | 0.26881 |
| PolarSurfaceArea | 91.84 |
| Druglikeness | 6.2568 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(2,5-dimethoxyphenyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(2,5-dimethoxyphenyl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off