TL;DR: 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 106792-02-3) is a chemical compound with molecular formula C10H6F3N5 and molecular weight 253.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
Also Known As: IFLab1_001008, 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile, AE-848/12560106, 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carbonitrile, F0306-0263
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H6F3N5 |
| Molecular Weight | 253.05753 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.05753 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | C1=CC(=NC=C1C(F)(F)F)N2C(=C(C=N2)C#N)N |
| InChIKey | WEEMVZFMKZIUEU-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile is 106792-02-3.
The molecular formula of 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile is C10H6F3N5.
The molecular weight of 5-amino-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile is 253.05753 g/mol.
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