TL;DR: (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide (CAS 1285540-44-4) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-methylthiophen-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
Also Known As: (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide, 3-(5-ME-2-THIENYL)-N'-(3-PHENYL-2-PROPENYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide, 5-(5-Methyl-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide, 5-(5-methylthiophen-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C18H16N4OS |
| Molecular Weight | 336.1045 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1045 Da |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
| SMILES | CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C=C/C3=CC=CC=C3 |
| InChIKey | MTUYXGPNTGJRRQ-CEGJKDKLSA-N |
The XLogP value of 3.7 indicates that (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-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 (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide is 1285540-44-4.
The molecular formula of (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide is C18H16N4OS.
The molecular weight of (E)-3-(5-methylthiophen-2-yl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide is 336.1045 g/mol.
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