3-amino-5-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
Formula:C18H10N5OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-amino-5-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 3-amino-5-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile |
| MolecularFormula | C18H10N5OF3 |
| Smiles | Nc1n[nH]c(/C(/C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C#N |
| InChI | InChI=1S/C18H10F3N5O/c19-18(20,21)12-3-1-2-10(6-12)15-5-4-13(27-15)7-11(8-22)16-14(9-23)17(24)26-25-16/h1-7H,(H3,24,25,26) |
| InChIK | DASYJBDAMFWERD-UHFFFAOYSA-N |
| TotalMolweight | 369.305 |
| Molweight | 369.305 |
| MonoisotopicMass | 369.083744 |
| CLogP | 2.5771 |
| CLogS | -5.838 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.91 |
| Relative PSA | 0.29417 |
| PolarSurfaceArea | 115.42 |
| Druglikeness | -8.5585 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-amino-5-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile | 2 - 3-amino-5-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
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