N-[(E)-pyridin-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C13H13N5O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C13H13N5O |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C/c1ncccc1 |
| InChI | InChI=1S/C13H13N5O/c19-13(12-10-5-3-6-11(10)16-17-12)18-15-8-9-4-1-2-7-14-9/h1-2,4,7-8H,3,5-6H2,(H,16,17)(H,18,19) |
| InChIK | CRRNSFWAIXRIMZ-UHFFFAOYSA-N |
| TotalMolweight | 255.28 |
| Molweight | 255.28 |
| MonoisotopicMass | 255.11201 |
| CLogP | 1.0711 |
| CLogS | -2.393 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 201.86 |
| Relative PSA | 0.35639 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 3.4846 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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