3-(3,4-dichlorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C16H11N5OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,4-dichlorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3,4-dichlorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C16H11N5OCl2 |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C16H11Cl2N5O/c17-12-2-1-11(7-13(12)18)14-8-15(22-21-14)16(24)23-20-9-10-3-5-19-6-4-10/h1-9H,(H,21,22)(H,23,24) |
| InChIK | JHBSEMUXKALPFV-UHFFFAOYSA-N |
| TotalMolweight | 360.203 |
| Molweight | 360.203 |
| MonoisotopicMass | 359.034064 |
| CLogP | 3.1105 |
| CLogS | -4.773 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 264.68 |
| Relative PSA | 0.2718 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 5.6554 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-(3,4-dichlorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3,4-dichlorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
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