1-phenyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
Formula:C19H12N4O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide is a drug-like molecule.
| MolName | 1-phenyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide |
| MolecularFormula | C19H12N4O2F6 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)N/N=C\c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C19H12F6N4O2/c20-18(21,22)16-15(11-27-29(16)13-4-2-1-3-5-13)17(30)28-26-10-12-6-8-14(9-7-12)31-19(23,24)25/h1-11H,(H,28,30) |
| InChIK | KHDYKWQNOFDNPN-UHFFFAOYSA-N |
| TotalMolweight | 442.318 |
| Molweight | 442.318 |
| MonoisotopicMass | 442.086444 |
| CLogP | 4.3717 |
| CLogS | -5.281 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.63 |
| Relative PSA | 0.21029 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -4.3924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-phenyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide | 2 - 1-phenyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
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