TL;DR: 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine (CAS 1024594-42-0) is a chemical compound with molecular formula C8H8F3N5 and molecular weight 231.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine
Also Known As: 3T-0058, 1'-methyl-5'-trifluoromethyl-1H,1'H-[3,4']bipyrazolyl-5-ylamine, 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine, 1'-methyl-5'-(trifluoromethyl)-1H,1'H-[3,4'-bipyrazole]-5-amine
| Molecular Formula | C8H8F3N5 |
| Molecular Weight | 231.07318 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.07318 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | CN1C(=C(C=N1)C2=CC(=NN2)N)C(F)(F)F |
| InChIKey | SYRXUKFLAQWAOJ-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine. Following Lipinski's Rule of Five, 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine has 2 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-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine is 1024594-42-0.
The molecular formula of 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine is C8H8F3N5.
The molecular weight of 5-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazol-3-amine is 231.07318 g/mol.
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