TL;DR: 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1038990-19-0) is a chemical compound with molecular formula C14H9F3N6S and molecular weight 350.05615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C14H9F3N6S |
| Molecular Weight | 350.05615 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.05615 Da |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
| SMILES | C1CC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=NNC(=C5)C(F)(F)F |
| InChIKey | QTCRDPFYJBQTAH-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 1038990-19-0.
The molecular formula of 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C14H9F3N6S.
The molecular weight of 2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 350.05615 g/mol.
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