TL;DR: 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CAS 1212400-90-2) is a chemical compound with molecular formula C23H21F3N6O3 and molecular weight 486.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-N'-(1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
Also Known As: 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide, 5-methyl-N'-(1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide, 5-methyl-N'-[1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide, 5-METHYL-N'~3~-[1-(1-NAPHTHYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOHYDRAZIDE
| Molecular Formula | C23H21F3N6O3 |
| Molecular Weight | 486.16272 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.16272 Da |
| Heavy Atoms | 35 |
| Complexity | 857.0 |
| SMILES | CC1CC(N2C(=C(C=N2)C(=O)NNC3CC(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)N1)C(F)(F)F |
| InChIKey | HMPQLBRRXYKDHY-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide. Following Lipinski's Rule of Five, 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is 1212400-90-2.
The molecular formula of 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is C23H21F3N6O3.
The molecular weight of 5-methyl-N'-(1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide is 486.16272 g/mol.
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