1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C17H13N5OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C17H13N5OCl2 |
| Smiles | O=C(c1nn(Cc(ccc(Cl)c2)c2Cl)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C17H13Cl2N5O/c18-14-2-1-13(15(19)9-14)11-24-8-5-16(23-24)17(25)22-21-10-12-3-6-20-7-4-12/h1-10H,11H2,(H,22,25) |
| InChIK | BZEHQOHUFWVTLT-UHFFFAOYSA-N |
| TotalMolweight | 374.23 |
| Molweight | 374.23 |
| MonoisotopicMass | 373.049714 |
| CLogP | 2.8865 |
| CLogS | -3.979 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.07 |
| Relative PSA | 0.23311 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 7.2144 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide | 2 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off