3-(4-chlorophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C18H12N4OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C18H12N4OClF3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C18H12ClF3N4O/c19-13-7-5-11(6-8-13)15-9-16(25-24-15)17(27)26-23-10-12-3-1-2-4-14(12)18(20,21)22/h1-10H,(H,24,25)(H,26,27) |
| InChIK | PUKFXJQVXJSGFK-UHFFFAOYSA-N |
| TotalMolweight | 392.767 |
| Molweight | 392.767 |
| MonoisotopicMass | 392.065172 |
| CLogP | 4.3537 |
| CLogS | -5.61 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.96 |
| Relative PSA | 0.21778 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -1.5346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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