TL;DR: 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea (CAS 1005695-63-5) is a chemical compound with molecular formula C17H22FN5OS and molecular weight 363.15292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea
Also Known As: 1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea, 1-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-3-[2-(morpholin-4-yl)ethyl]thiourea, 3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)thiourea, N-[1-(2-FLUOROBENZYL)-1H-PYRAZOL-4-YL]-N'-(2-MORPHOLINOETHYL)THIOUREA
| Molecular Formula | C17H22FN5OS |
| Molecular Weight | 363.15292 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.15292 Da |
| Heavy Atoms | 25 |
| Complexity | 424.0 |
| SMILES | C1COCCN1CCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3F |
| InChIKey | UGYUFTQKHHMRPP-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea. Following Lipinski's Rule of Five, 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea 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 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea is 1005695-63-5.
The molecular formula of 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea is C17H22FN5OS.
The molecular weight of 1-[1-[(2-Fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea is 363.15292 g/mol.
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