3-[5-(1-Ethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1174881-80-1
Catalog: |
BB042470 |
Product Name: |
3-[5-(1-Ethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1174881-80-1 |
Synonyms: |
3-[5-(1-ethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid; SBB026873; STK510279 |
IUPAC Name: | 3-[5-(1-ethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Description: | 3-[5-(1-Ethylpyrazol-4-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS# 1174881-80-1 ) is a useful research chemical. |
Molecular Weight: | 354.29 |
Molecular Formula: | C14H13F3N6O2 |
Canonical SMILES: | CCN1C=C(C=N1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C14H13F3N6O2/c1-2-22-7-8(6-18-22)9-5-10(14(15,16)17)23-13(19-9)20-11(21-23)3-4-12(24)25/h5-7H,2-4H2,1H3,(H,24,25) |
InChI Key: | KXOHRXHBKAXMNF-UHFFFAOYSA-N |
Complexity: | 494 |
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: | 5 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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