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

C10H8F3N3O2 — CID 84729511

IUPAC2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)7-3-15-16-4-6(10(11,12)13)2-14-8(7)16/h2-5H,1H3,(H,17,18)
InChIKeyLVNOYCWKPMOKJJ-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.94
Rot. Bonds2

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

2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (PubChem CID 84729511) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
PubChem CID84729511
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)7-3-15-16-4-6(10(11,12)13)2-14-8(7)16/h2-5H,1H3,(H,17,18)
InChIKeyLVNOYCWKPMOKJJ-UHFFFAOYSA-N
XLogP1.94
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 84728495
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729512
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84802814
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806134
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806527
2-Amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806708
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
CID 84809754
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810031
2-Methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810464
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810465

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (CID 84729511) is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid is CC(C(=O)O)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The InChIKey is LVNOYCWKPMOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5(9(17)18)7-3-15-16-4-6(10(11,12)13)2-14-8(7)16/h2-5H,1H3,(H,17,18).
What are the key properties of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid has a molecular weight of 259.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid is sourced from PubChem (CID 84729511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).