N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C21H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C21H20N4O2 |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H20N4O2/c26-21(20-18-10-5-11-19(18)23-24-20)25-22-13-16-8-4-9-17(12-16)27-14-15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,23,24)(H,25,26) |
| InChIK | LDUGWTARVRKYQR-UHFFFAOYSA-N |
| TotalMolweight | 360.416 |
| Molweight | 360.416 |
| MonoisotopicMass | 360.158626 |
| CLogP | 3.3661 |
| CLogS | -4.505 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 286.62 |
| Relative PSA | 0.24761 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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