3-[7-(Difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid - CAS 1172726-60-1
Catalog: |
BB042913 |
Product Name: |
3-[7-(Difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
CAS: |
1172726-60-1 |
Synonyms: |
3-(7-(Difluoromethyl)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid; SBB026593; STK353515; ZINC12399126 |
IUPAC Name: | 3-[7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Description: | 3-[7-(Difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS# 1172726-60-1 ) is a useful research chemical. |
Molecular Weight: | 336.30 |
Molecular Formula: | C14H14F2N6O2 |
Canonical SMILES: | CC1=C(C=NN1C)C2=NC3=NC(=NN3C(=C2)C(F)F)CCC(=O)O |
InChI: | InChI=1S/C14H14F2N6O2/c1-7-8(6-17-21(7)2)9-5-10(13(15)16)22-14(18-9)19-11(20-22)3-4-12(23)24/h5-6,13H,3-4H2,1-2H3,(H,23,24) |
InChI Key: | HGWKKDZZLNWRMM-UHFFFAOYSA-N |
Complexity: | 471 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.11463003 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.11463003 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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