TL;DR: 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 380879-58-3) is a chemical compound with molecular formula C20H17Br2F3N4O4 and molecular weight 591.95685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-(5-bromofuran-2-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(5-bromofuran-2-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(5-bromofuran-2-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(3,4-dimethoxyphenyl)[3-bromo-5-(5-bromo(2-furyl))-7-(trifluoromethyl)(4H,5H ,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroin-2-yl)]carboxamide
| Molecular Formula | C20H17Br2F3N4O4 |
| Molecular Weight | 591.95685 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 591.95685 Da |
| Heavy Atoms | 33 |
| Complexity | 709.0 |
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=NN3C(CC(NC3=C2Br)C4=CC=C(O4)Br)C(F)(F)F)OC |
| InChIKey | SNULMNZSOGUDHE-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 380879-58-3.
The molecular formula of 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is C20H17Br2F3N4O4.
The molecular weight of 3-bromo-5-(5-bromo-2-furyl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 591.95685 g/mol.
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