TL;DR: 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CAS 1005622-58-1) is a chemical compound with molecular formula C21H17F5N6O and molecular weight 464.1384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-3-(1,1,2,2,2-PENTAFLUOROETHYL)-1-PHENYL-4-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE, 6-amino-3-(pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H17F5N6O |
| Molecular Weight | 464.1384 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.1384 Da |
| Heavy Atoms | 33 |
| Complexity | 835.0 |
| SMILES | CC1=C(C(=NN1C)C)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C(C(F)(F)F)(F)F)N)C#N |
| InChIKey | GGQQSOYBUGEQKS-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile. Following Lipinski's Rule of Five, 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is 1005622-58-1.
The molecular formula of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is C21H17F5N6O.
The molecular weight of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is 464.1384 g/mol.
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