5-(5-chlorothiophen-2-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C15H9N4OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(5-chlorothiophen-2-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(5-chlorothiophen-2-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H9N4OCl3S |
| Smiles | O=C(c1n[nH]c(-c(s2)ccc2Cl)c1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl3N4OS/c16-9-2-1-8(10(17)5-9)7-19-22-15(23)12-6-11(20-21-12)13-3-4-14(18)24-13/h1-7H,(H,20,21)(H,22,23) |
| InChIK | WXPMIOKPZKKODY-UHFFFAOYSA-N |
| TotalMolweight | 399.688 |
| Molweight | 399.688 |
| MonoisotopicMass | 397.956262 |
| CLogP | 4.9456 |
| CLogS | -6.242 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.28 |
| Relative PSA | 0.29331 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 7.0124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-(5-chlorothiophen-2-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide | 2 - 5-(5-chlorothiophen-2-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
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