TL;DR: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (CAS 1005679-10-6) is a chemical compound with molecular formula C13H18BrN7OS and molecular weight 399.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
Also Known As: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea, 2-[(4-BROMO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)CARBONYL]-N-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-1-HYDRAZINECARBOTHIOAMIDE, 2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazinecarbothioamide, 3-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-1-(1-ethyl-5-methyl-pyrazol-4-yl)thiourea
| Molecular Formula | C13H18BrN7OS |
| Molecular Weight | 399.0477 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0477 Da |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
| SMILES | CCN1C(=C(C=N1)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C |
| InChIKey | SRYAMASEZBYYSM-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea has 3 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 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 1005679-10-6.
The molecular formula of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is C13H18BrN7OS.
The molecular weight of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 399.0477 g/mol.
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