5-{1-[3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethyl}-1,3,4-thiadiazol-2-amine - CAS 2054953-82-9
Catalog: |
BB051224 |
Product Name: |
5-{1-[3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethyl}-1,3,4-thiadiazol-2-amine |
CAS: |
2054953-82-9 |
Synonyms: |
1,3,4-Thiadiazol-2-amine, 5-[1-[5,6-dihydro-3-(trifluoromethyl)-1(4H)-cyclopentapyrazolyl]ethyl]- |
IUPAC Name: | 5-[1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 303.31 |
Molecular Formula: | C11H12F3N5S |
Canonical SMILES: | CC(C1=NN=C(S1)N)N2C3=C(CCC3)C(=N2)C(F)(F)F |
InChI: | InChI=1S/C11H12F3N5S/c1-5(9-16-17-10(15)20-9)19-7-4-2-3-6(7)8(18-19)11(12,13)14/h5H,2-4H2,1H3,(H2,15,17) |
InChI Key: | YGTDZBLPHQGDQH-UHFFFAOYSA-N |
Boiling Point: | 411.2±55.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.74±0.1 g/cm3 (Predicted) |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.07655106 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.07655106 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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