TL;DR: N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide (CAS 1285497-63-3) is a chemical compound with molecular formula C13H13ClN4O and molecular weight 276.0778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
Also Known As: BAS 00283638, BIM-0033442.P001, N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide, (E)-N'-(1-(4-chlorophenyl)ethylidene)-3-methyl-1H-pyrazole-5-carbohydrazide, F1092-0928
| Molecular Formula | C13H13ClN4O |
| Molecular Weight | 276.0778 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0778 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | CC1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC=C(C=C2)Cl |
| InChIKey | FZRLIXPDGAKPIH-CXUHLZMHSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide is 1285497-63-3.
The molecular formula of N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide is C13H13ClN4O.
The molecular weight of N'-[(1E)-1-(4-chlorophenyl)ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide is 276.0778 g/mol.
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