(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
Formula:C21H22N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-piperidin-1-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(1,3-diphenylpyrazol-4-yl)-N-piperidin-1-ylmethanimine |
| MolecularFormula | C21H22N4 |
| Smiles | C(CC1)CCN1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C21H22N4/c1-4-10-18(11-5-1)21-19(16-22-24-14-8-3-9-15-24)17-25(23-21)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2 |
| InChIK | WAXAEQZBVCPAKE-UHFFFAOYSA-N |
| TotalMolweight | 330.434 |
| Molweight | 330.434 |
| MonoisotopicMass | 330.184446 |
| CLogP | 3.5745 |
| CLogS | -4.233 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.1 |
| Relative PSA | 0.12136 |
| PolarSurfaceArea | 33.42 |
| Druglikeness | 2.555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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