5-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C16H11N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C16H11N4OF3S |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H11F3N4OS/c17-16(18,19)11-5-3-10(4-6-11)9-20-23-15(24)13-8-12(21-22-13)14-2-1-7-25-14/h1-9H,(H,21,22)(H,23,24) |
| InChIK | QGWWIXDEPKMBNQ-UHFFFAOYSA-N |
| TotalMolweight | 364.35 |
| Molweight | 364.35 |
| MonoisotopicMass | 364.060565 |
| CLogP | 3.7712 |
| CLogS | -4.795 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.48 |
| Relative PSA | 0.31223 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 0.33604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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