3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C22H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C22H17N4O2ClS |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cc2)ccc2Cl)n[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C22H17ClN4O2S/c23-17-7-3-15(4-8-17)14-29-18-9-5-16(6-10-18)20-12-21(26-25-20)22(28)27-24-13-19-2-1-11-30-19/h1-13H,14H2,(H,25,26)(H,27,28) |
| InChIK | JYSUVZGLYXGMSK-UHFFFAOYSA-N |
| TotalMolweight | 436.922 |
| Molweight | 436.922 |
| MonoisotopicMass | 436.076073 |
| CLogP | 4.7201 |
| CLogS | -6.183 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 329.96 |
| Relative PSA | 0.27679 |
| PolarSurfaceArea | 107.61 |
| Druglikeness | 6.6586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
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