TL;DR: 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide (CAS 1299399-54-4) is a chemical compound with molecular formula C16H12FN5O and molecular weight 309.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: BAS 01859053, (E)-3-(4-fluorophenyl)-N'-(pyridin-4-ylmethylene)-1H-pyrazole-5-carbohydrazide, 3-(4-FLUOROPHENYL)-N'-(4-PYRIDINYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(4-FLUOROPHENYL)-N'-[(E)-(PYRIDIN-4-YL)METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(4-fluorophenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C16H12FN5O |
| Molecular Weight | 309.1026 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1026 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=NC=C3)F |
| InChIKey | ZGCFNWMEZNUGTR-VXLYETTFSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 1299399-54-4.
The molecular formula of 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is C16H12FN5O.
The molecular weight of 3-(4-Fluorophenyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide is 309.1026 g/mol.
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