TL;DR: 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285566-83-7) is a chemical compound with molecular formula C16H16N6O and molecular weight 308.13855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methylpyrrol-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide, AF-399/14339003, 3-(1-methyl-1H-pyrrol-2-yl)-N'-[1-(4-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide, 3-(1-methylpyrrol-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-5-carboxamide, N-((1E)-2-(4-pyridyl)-1-azaprop-1-enyl)[3-(1-methylpyrrol-2-yl)pyrazol-5-yl]ca rboxamide
| Molecular Formula | C16H16N6O |
| Molecular Weight | 308.13855 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.13855 Da |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
| SMILES | C/C(=N\NC(=O)C1=CC(=NN1)C2=CC=CN2C)/C3=CC=NC=C3 |
| InChIKey | ZDSHEBAVQCBURR-WOJGMQOQSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide is 1285566-83-7.
The molecular formula of 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide is C16H16N6O.
The molecular weight of 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide is 308.13855 g/mol.
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