N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C25H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C25H22N4O3 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c(cc3)ccc3OCCc3ccccc3)n[nH]2)=O)c1 |
| InChI | InChI=1S/C25H22N4O3/c30-21-8-4-7-19(15-21)17-26-29-25(31)24-16-23(27-28-24)20-9-11-22(12-10-20)32-14-13-18-5-2-1-3-6-18/h1-12,15-17,30H,13-14H2,(H,27,28)(H,29,31) |
| InChIK | KDZUAGXOVCZZGI-UHFFFAOYSA-N |
| TotalMolweight | 426.475 |
| Molweight | 426.475 |
| MonoisotopicMass | 426.169191 |
| CLogP | 4.3319 |
| CLogS | -5.253 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 338.71 |
| Relative PSA | 0.24821 |
| PolarSurfaceArea | 99.6 |
| Druglikeness | 5.0488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
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