5-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
Formula:C16H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C16H16N4O |
| Smiles | O=C(c1n[nH]c(C2CC2)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H16N4O/c21-16(15-11-14(18-19-15)13-8-9-13)20-17-10-4-7-12-5-2-1-3-6-12/h1-7,10-11,13H,8-9H2,(H,18,19)(H,20,21) |
| InChIK | GWLCIEXXLRESPN-UHFFFAOYSA-N |
| TotalMolweight | 280.33 |
| Molweight | 280.33 |
| MonoisotopicMass | 280.132411 |
| CLogP | 2.3323 |
| CLogS | -3.591 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.34 |
| Relative PSA | 0.26701 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 6.5857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide | 2 - 5-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off