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

C10H8F3N3O2 — CID 84806134

IUPAC2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)6-3-14-8-2-7(10(11,12)13)15-16(8)4-6/h2-5H,1H3,(H,17,18)
InChIKeyLBLHXZRKWWTXGO-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.94
Rot. Bonds2

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

2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 84806134) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID84806134
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O2/c1-5(9(17)18)6-3-14-8-2-7(10(11,12)13)15-16(8)4-6/h2-5H,1H3,(H,17,18)
InChIKeyLBLHXZRKWWTXGO-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

6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1259795
6-Methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 18524444
3-[7-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 25248714
2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2768067
7-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200547
5-(Difluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxylic acid
CID 119056307
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 16792807
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324826
5-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324828
5-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 70421618
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271876
5-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 129284359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 84806134) is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is CC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is LBLHXZRKWWTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5(9(17)18)6-3-14-8-2-7(10(11,12)13)15-16(8)4-6/h2-5H,1H3,(H,17,18).
What are the key properties of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-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-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 84806134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).