3-[7-(Difluoromethyl)-5-(1-ethyl-5-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1174869-32-9
Catalog: |
BB053033 |
Product Name: |
3-[7-(Difluoromethyl)-5-(1-ethyl-5-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1174869-32-9 |
Synonyms: |
3-(7-(Difluoromethyl)-5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; 3-[7-(difluoromethyl)-5-(1-ethyl-5-methylpyrazol-4-yl)-8-hydro-1,2,4-triazolo[ 1,5-a]pyrimidin-2-yl]propanoic acid |
IUPAC Name: | 3-[7-(difluoromethyl)-5-(1-ethyl-5-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 350.32 |
Molecular Formula: | C15H16F2N6O2 |
Canonical SMILES: | CCN1C(=C(C=N1)C2=NC3=NC(=NN3C(=C2)C(F)F)CCC(=O)O)C |
InChI: | InChI=1S/C15H16F2N6O2/c1-3-22-8(2)9(7-18-22)10-6-11(14(16)17)23-15(19-10)20-12(21-23)4-5-13(24)25/h6-7,14H,3-5H2,1-2H3,(H,24,25) |
InChI Key: | QUESTZFVISYRJF-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 485 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 350.1302801 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 350.1302801 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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