N-[(E)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C12H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C12H12N4OS |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C/c1cccs1 |
| InChI | InChI=1S/C12H12N4OS/c17-12(16-13-7-8-3-2-6-18-8)11-9-4-1-5-10(9)14-15-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17) |
| InChIK | RHTNOJVNXRSZGT-UHFFFAOYSA-N |
| TotalMolweight | 260.32 |
| Molweight | 260.32 |
| MonoisotopicMass | 260.073181 |
| CLogP | 1.8846 |
| CLogS | -3.174 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 199.04 |
| Relative PSA | 0.40861 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 4.7899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(E)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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