1-phenyl-N-[(E)-thiolan-3-ylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
Formula:C15H13N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-[(E)-thiolan-3-ylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide is a drug-like molecule.
| MolName | 1-phenyl-N-[(E)-thiolan-3-ylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide |
| MolecularFormula | C15H13N4OF3S |
| Smiles | O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)N/N=C1/CSCC1 |
| InChI | InChI=1S/C15H13F3N4OS/c16-15(17,18)13-12(14(23)21-20-10-6-7-24-9-10)8-19-22(13)11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,21,23) |
| InChIK | TYPMIBYZLYQYBF-UHFFFAOYSA-N |
| TotalMolweight | 354.355 |
| Molweight | 354.355 |
| MonoisotopicMass | 354.076215 |
| CLogP | 1.9243 |
| CLogS | -3.647 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.89 |
| Relative PSA | 0.28779 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | -0.95466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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