3-(2,5-dichlorophenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H12N4O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3-(2,5-dichlorophenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(2,5-dichlorophenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N4O2Cl2 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c(cc(cc3)Cl)c3Cl)n[nH]2)=O)c1 |
| InChI | InChI=1S/C17H12Cl2N4O2/c18-11-4-5-14(19)13(7-11)15-8-16(22-21-15)17(25)23-20-9-10-2-1-3-12(24)6-10/h1-9,24H,(H,21,22)(H,23,25) |
| InChIK | ALGUSADGYJLWCB-UHFFFAOYSA-N |
| TotalMolweight | 375.214 |
| Molweight | 375.214 |
| MonoisotopicMass | 374.03373 |
| CLogP | 3.7657 |
| CLogS | -5.272 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 272.27 |
| Relative PSA | 0.27205 |
| PolarSurfaceArea | 90.37 |
| Druglikeness | 5.6396 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-(2,5-dichlorophenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(2,5-dichlorophenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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