(Z)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
Formula:C19H20N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine |
| MolecularFormula | C19H20N4S |
| Smiles | C(CC1)CCN1/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C19H20N4S/c1-3-8-17(9-4-1)23-15-16(14-20-22-11-5-2-6-12-22)19(21-23)18-10-7-13-24-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2 |
| InChIK | ZLRCRWDYLDQPFX-UHFFFAOYSA-N |
| TotalMolweight | 336.462 |
| Molweight | 336.462 |
| MonoisotopicMass | 336.140866 |
| CLogP | 3.598 |
| CLogS | -4.154 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.04 |
| Relative PSA | 0.19945 |
| PolarSurfaceArea | 61.66 |
| Druglikeness | 3.8516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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