TL;DR: 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005662-95-2) is a chemical compound with molecular formula C19H23BrN6S and molecular weight 446.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
Also Known As: 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea, 1-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-3-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]thiourea, 1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea, N-[2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHYL]-N'-[1-(2-METHYLBENZYL)-1H-PYRAZOL-4-YL]THIOUREA
| Molecular Formula | C19H23BrN6S |
| Molecular Weight | 446.08884 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.08884 Da |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
| SMILES | CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NCCN3C(=C(C(=N3)C)Br)C |
| InChIKey | IKHHGOJXWGKEEJ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea. Following Lipinski's Rule of Five, 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is 1005662-95-2.
The molecular formula of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is C19H23BrN6S.
The molecular weight of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea is 446.08884 g/mol.
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