TL;DR: 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide (CAS 1310354-47-2) is a chemical compound with molecular formula C17H15ClN4O2S and molecular weight 374.06042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-chlorothiophen-2-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide, 3-(5-chlorothiophen-2-yl)-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(5-chlorothiophen-2-yl)-N'-(1-(4-methoxyphenyl)ethylidene)-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C17H15ClN4O2S |
| Molecular Weight | 374.06042 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.06042 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | C/C(=N\NC(=O)C1=NNC(=C1)C2=CC=C(S2)Cl)/C3=CC=C(C=C3)OC |
| InChIKey | PQLHSEFITSDIMB-VXLYETTFSA-N |
The XLogP value of 4.0 indicates that 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)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-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 1310354-47-2.
The molecular formula of 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is C17H15ClN4O2S.
The molecular weight of 3-(5-chlorothiophen-2-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide is 374.06042 g/mol.
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