N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
Formula:C19H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C19H17N5O |
| Smiles | O=C(C1CC1)N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C19H17N5O/c25-19(14-8-9-14)22-21-12-16-13-24(17-6-2-1-3-7-17)23-18(16)15-5-4-10-20-11-15/h1-7,10-14H,8-9H2,(H,22,25) |
| InChIK | XQKOOASUUFGHEZ-UHFFFAOYSA-N |
| TotalMolweight | 331.378 |
| Molweight | 331.378 |
| MonoisotopicMass | 331.14331 |
| CLogP | 1.994 |
| CLogS | -3.785 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 259.99 |
| Relative PSA | 0.24932 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.9317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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