3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1174878-30-8
Catalog: |
BB053055 |
Product Name: |
3-[5-(1,5-Dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1174878-30-8 |
Synonyms: |
3-(5-(1,5-Dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; 3-[5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
IUPAC Name: | 3-[5-(1,5-dimethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 354.29 |
Molecular Formula: | C14H13F3N6O2 |
Canonical SMILES: | CC1=C(C=NN1C)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C14H13F3N6O2/c1-7-8(6-18-22(7)2)9-5-10(14(15,16)17)23-13(19-9)20-11(21-23)3-4-12(24)25/h5-6H,3-4H2,1-2H3,(H,24,25) |
InChI Key: | FYYPIAHNIVNUTH-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 507 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.10520816 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.10520816 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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