3-(3,4-dichlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H11N4OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,4-dichlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3,4-dichlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H11N4OCl2F |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H11Cl2FN4O/c18-13-6-3-11(7-14(13)19)15-8-16(23-22-15)17(25)24-21-9-10-1-4-12(20)5-2-10/h1-9H,(H,22,23)(H,24,25) |
| InChIK | DSIPYNZRZNZMRS-UHFFFAOYSA-N |
| TotalMolweight | 377.205 |
| Molweight | 377.205 |
| MonoisotopicMass | 376.029393 |
| CLogP | 4.2122 |
| CLogS | -5.882 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.27 |
| Relative PSA | 0.22393 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.3154 |
| 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 | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-(3,4-dichlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3,4-dichlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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