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

C9H6F3N3O2 — CID 84802814

IUPAC2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESO=C(O)Cc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)6-2-7-13-3-5(1-8(16)17)4-15(7)14-6/h2-4H,1H2,(H,16,17)
InChIKeyCFZJSOTVTXOPML-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.38
Rot. Bonds2

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

2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 84802814) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID84802814
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESO=C(O)Cc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)6-2-7-13-3-5(1-8(16)17)4-15(7)14-6/h2-4H,1H2,(H,16,17)
InChIKeyCFZJSOTVTXOPML-UHFFFAOYSA-N
XLogP1.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 670824
6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1259795
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
2-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3159636
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
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-6-carboxylic acid
CID 45602094
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 84802814) is 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is O=C(O)Cc1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is CFZJSOTVTXOPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)6-2-7-13-3-5(1-8(16)17)4-15(7)14-6/h2-4H,1H2,(H,16,17).
What are the key properties of 2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 245.16 g/mol, XLogP of 1.38, 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]acetic acid is sourced from PubChem (CID 84802814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).