N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C12H11N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C12H11N4OBrS |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C12H11BrN4OS/c13-10-5-4-7(19-10)6-14-17-12(18)11-8-2-1-3-9(8)15-16-11/h4-6H,1-3H2,(H,15,16)(H,17,18) |
| InChIK | DKMLFDXVHDDELT-UHFFFAOYSA-N |
| TotalMolweight | 339.216 |
| Molweight | 339.216 |
| MonoisotopicMass | 337.983692 |
| CLogP | 2.8145 |
| CLogS | -4.025 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.67 |
| Relative PSA | 0.37364 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 1.1195 |
| Mutagenic | none |
| 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 | 7 |
| Electronegative Atoms | 7 |
| 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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