TL;DR: 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285537-54-3) is a chemical compound with molecular formula C13H13N5O3 and molecular weight 287.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide, F1092-0930, 5-methyl-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide, (E)-3-methyl-N'-(1-(4-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide, 3-Methyl-N'-[1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C13H13N5O3 |
| Molecular Weight | 287.10184 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.10184 Da |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
| SMILES | CC1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CQZAXEOMXHQQTE-OQLLNIDSSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-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-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 1285537-54-3.
The molecular formula of 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is C13H13N5O3.
The molecular weight of 3-methyl-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 287.10184 g/mol.
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