2-[(Z)-1-cyano-2-phenylethenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:C18H7N5F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-1-cyano-2-phenylethenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is a drug-like molecule.
| MolName | 2-[(Z)-1-cyano-2-phenylethenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| MolecularFormula | C18H7N5F6 |
| Smiles | N#C/C(/c1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C#N)=C\c1ccccc1 |
| InChI | InChI=1S/C18H7F6N5/c19-17(20,21)13-7-14(18(22,23)24)29-16(27-13)12(9-26)15(28-29)11(8-25)6-10-4-2-1-3-5-10/h1-7H |
| InChIK | SNCIAWQRELKVRE-UHFFFAOYSA-N |
| TotalMolweight | 407.277 |
| Molweight | 407.277 |
| MonoisotopicMass | 407.060563 |
| CLogP | 2.9295 |
| CLogS | -5.852 |
| H Acceptors | 5 |
| TotalSurfaceArea | 282.84 |
| Relative PSA | 0.20156 |
| PolarSurfaceArea | 77.77 |
| Druglikeness | -10.807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-1-cyano-2-phenylethenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 2 - 2-[(Z)-1-cyano-2-phenylethenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off