5-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Formula:C21H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 5-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H20N4O2 |
| Smiles | O=C(c1n[nH]c(C2CC2)c1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H20N4O2/c26-21(19-12-18(23-24-19)16-10-11-16)25-22-13-17-8-4-5-9-20(17)27-14-15-6-2-1-3-7-15/h1-9,12-13,16H,10-11,14H2,(H,23,24)(H,25,26) |
| InChIK | ZLVSIPGLNONFKD-UHFFFAOYSA-N |
| TotalMolweight | 360.416 |
| Molweight | 360.416 |
| MonoisotopicMass | 360.158626 |
| CLogP | 3.6621 |
| CLogS | -4.64 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.36 |
| Relative PSA | 0.2487 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 6.3072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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