N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
Formula:C14H10N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide |
| MolecularFormula | C14H10N5OF3 |
| Smiles | N/C(/c1c2nccc(-c3cccc(C(F)(F)F)c3)n2nc1)=N/O |
| InChI | InChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)21-23)7-20-22(11)13/h1-7,23H,(H2,18,21) |
| InChIK | PZKPQONZOSUNSL-UHFFFAOYSA-N |
| TotalMolweight | 321.261 |
| Molweight | 321.261 |
| MonoisotopicMass | 321.083744 |
| CLogP | 1.8695 |
| CLogS | -4.458 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 223.09 |
| Relative PSA | 0.31274 |
| PolarSurfaceArea | 88.8 |
| Druglikeness | -3.5531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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