3-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C18H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C18H13N4OF3 |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H13F3N4O/c19-18(20,21)14-8-6-12(7-9-14)11-22-25-17(26)16-10-15(23-24-16)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H,25,26) |
| InChIK | NOEHKHVNPJEAEP-UHFFFAOYSA-N |
| TotalMolweight | 358.322 |
| Molweight | 358.322 |
| MonoisotopicMass | 358.104145 |
| CLogP | 3.7477 |
| CLogS | -4.874 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.54 |
| Relative PSA | 0.23048 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -1.5579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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