TL;DR: 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide (CAS 1023163-40-7) is a chemical compound with molecular formula C26H22N4O4 and molecular weight 454.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide
Also Known As: 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide, 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxamide, 5-(2-methoxyphenyl)-4,6-dioxo-N-phenyl-1-(p-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide, pyrrolo[3,4-c]pyrazole-3-carboxamide, 1,3a,4,5,6,6a-hexahydro-5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-
| Molecular Formula | C26H22N4O4 |
| Molecular Weight | 454.1641 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1641 Da |
| Heavy Atoms | 34 |
| Complexity | 831.0 |
| SMILES | CC1=CC=C(C=C1)N2C3C(C(=N2)C(=O)NC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC |
| InChIKey | CCASYAKZECJIEJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide is 1023163-40-7.
The molecular formula of 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide is C26H22N4O4.
The molecular weight of 5-(2-methoxyphenyl)-1-(4-methylphenyl)-4,6-dioxo-N-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxamide is 454.1641 g/mol.
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