3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid

C10H8F3N3O2 — CID 84729513

IUPAC3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)6-4-14-8-3-7(1-2-9(17)18)15-16(8)5-6/h3-5H,1-2H2,(H,17,18)
InChIKeyISGXYPQHFAFONO-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

About 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid

3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid (PubChem CID 84729513) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
PubChem CID84729513
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)6-4-14-8-3-7(1-2-9(17)18)15-16(8)5-6/h3-5H,1-2H2,(H,17,18)
InChIKeyISGXYPQHFAFONO-UHFFFAOYSA-N
XLogP1.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CID 84729513) is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid is O=C(O)CCc1cc2ncc(C(F)(F)F)cn2n1.
What is the InChIKey of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The InChIKey is ISGXYPQHFAFONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)6-4-14-8-3-7(1-2-9(17)18)15-16(8)5-6/h3-5H,1-2H2,(H,17,18).
What are the key properties of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid has a molecular weight of 259.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 84729513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).