5-(5-bromothiophen-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Formula:C13H9N4O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-(5-bromothiophen-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-(5-bromothiophen-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C13H9N4O2BrS |
| Smiles | O=C(c1n[nH]c(-c(s2)ccc2Br)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H9BrN4O2S/c14-12-4-3-11(21-12)9-6-10(17-16-9)13(19)18-15-7-8-2-1-5-20-8/h1-7H,(H,16,17)(H,18,19) |
| InChIK | JYZLOUWGENTCRF-UHFFFAOYSA-N |
| TotalMolweight | 365.21 |
| Molweight | 365.21 |
| MonoisotopicMass | 363.962957 |
| CLogP | 3.0415 |
| CLogS | -4.55 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 239.34 |
| Relative PSA | 0.39876 |
| PolarSurfaceArea | 111.52 |
| Druglikeness | 3.1835 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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