TL;DR: 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 1482516-31-3) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-methoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4Z)-4-[2-(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide, (4Z)-4-[(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, 4-[(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide
| Molecular Formula | C12H13N5O2S |
| Molecular Weight | 291.079 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.079 Da |
| Heavy Atoms | 20 |
| Complexity | 476.0 |
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC(=CC=C2)OC |
| InChIKey | KXJOHXZLJAJFFB-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 1482516-31-3.
The molecular formula of 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is C12H13N5O2S.
The molecular weight of 4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 291.079 g/mol.
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