TL;DR: 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea (CAS 1005647-05-1) is a chemical compound with molecular formula C23H24N8S2 and molecular weight 476.15652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea
Also Known As: 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea, 1,1'-[methanediylbis(1H-pyrazole-1,4-diyl)]bis[3-(3-methylphenyl)(thiourea)], N-(3-METHYLPHENYL)-N'-[1-({4-[(3-TOLUIDINOCARBOTHIOYL)AMINO]-1H-PYRAZOL-1-YL}METHYL)-1H-PYRAZOL-4-YL]THIOUREA
| Molecular Formula | C23H24N8S2 |
| Molecular Weight | 476.15652 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.15652 Da |
| Heavy Atoms | 33 |
| Complexity | 610.0 |
| SMILES | CC1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CN3C=C(C=N3)NC(=S)NC4=CC=CC(=C4)C |
| InChIKey | RFIWPEWNKGVEFO-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea has 4 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-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea is 1005647-05-1.
The molecular formula of 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea is C23H24N8S2.
The molecular weight of 1-(3-methylphenyl)-3-[1-[[4-[(3-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea is 476.15652 g/mol.
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