N-[(Z)-(3-bromophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C14H13N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C14H13N4OBr |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C14H13BrN4O/c15-10-4-1-3-9(7-10)8-16-19-14(20)13-11-5-2-6-12(11)17-18-13/h1,3-4,7-8H,2,5-6H2,(H,17,18)(H,19,20) |
| InChIK | MFXTVHQFCPLRQJ-UHFFFAOYSA-N |
| TotalMolweight | 333.188 |
| Molweight | 333.188 |
| MonoisotopicMass | 332.027272 |
| CLogP | 2.7432 |
| CLogS | -3.998 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 221.73 |
| Relative PSA | 0.27497 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 1.6946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-bromophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off