TL;DR: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide (CAS 1005690-16-3) is a chemical compound with molecular formula C20H20N4S and molecular weight 348.14087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide
Also Known As: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide, N-[1-(2-METHYLBENZYL)-1H-PYRAZOL-4-YL]-1-INDOLINECARBOTHIOAMIDE, N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-indole-1-carbothioamide
| Molecular Formula | C20H20N4S |
| Molecular Weight | 348.14087 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.14087 Da |
| Heavy Atoms | 25 |
| Complexity | 471.0 |
| SMILES | CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCC4=CC=CC=C43 |
| InChIKey | KBFPMGNHLULFJM-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide. Following Lipinski's Rule of Five, N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide is 1005690-16-3.
The molecular formula of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide is C20H20N4S.
The molecular weight of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-dihydroindole-1-carbothioamide is 348.14087 g/mol.
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