N-[(Z)-benzylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H13N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H13N4OCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H13ClN4O/c18-14-8-6-13(7-9-14)15-10-16(21-20-15)17(23)22-19-11-12-4-2-1-3-5-12/h1-11H,(H,20,21)(H,22,23) |
| InChIK | SHYXPVCFHAJFHT-UHFFFAOYSA-N |
| TotalMolweight | 324.77 |
| Molweight | 324.77 |
| MonoisotopicMass | 324.077788 |
| CLogP | 3.5054 |
| CLogS | -4.832 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.5 |
| Relative PSA | 0.24339 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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