N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Formula:C21H9N5OF8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| MolecularFormula | C21H9N5OF8 |
| Smiles | O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C21H9F8N5O/c22-15-10(16(23)18(25)19(26)17(15)24)8-30-32-20(35)12-7-14-31-11(9-4-2-1-3-5-9)6-13(21(27,28)29)34(14)33-12/h1-8H,(H,32,35) |
| InChIK | ISTWHBZMXAJELM-UHFFFAOYSA-N |
| TotalMolweight | 499.32 |
| Molweight | 499.32 |
| MonoisotopicMass | 499.067934 |
| CLogP | 4.3148 |
| CLogS | -7.717 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.73 |
| Relative PSA | 0.19926 |
| PolarSurfaceArea | 71.65 |
| Druglikeness | -0.11167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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