5-(furan-2-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C16H11N4O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-(furan-2-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(furan-2-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C16H11N4O2F3 |
| Smiles | O=C(c1n[nH]c(-c2ccco2)c1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H11F3N4O2/c17-16(18,19)11-5-2-1-4-10(11)9-20-23-15(24)13-8-12(21-22-13)14-6-3-7-25-14/h1-9H,(H,21,22)(H,23,24) |
| InChIK | JUQLBLILKIIDMY-UHFFFAOYSA-N |
| TotalMolweight | 348.283 |
| Molweight | 348.283 |
| MonoisotopicMass | 348.08341 |
| CLogP | 2.9734 |
| CLogS | -4.224 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.23 |
| Relative PSA | 0.29532 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | -1.5443 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| 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 | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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