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

C9H6F3N3O2 — CID 84728495

IUPAC2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)6-3-13-8-5(1-7(16)17)2-14-15(8)4-6/h2-4H,1H2,(H,16,17)
InChIKeyOLAVPNZKJSRNIP-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.38
Rot. Bonds2

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

2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid (PubChem CID 84728495) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
PubChem CID84728495
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)6-3-13-8-5(1-7(16)17)2-14-15(8)4-6/h2-4H,1H2,(H,16,17)
InChIKeyOLAVPNZKJSRNIP-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-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-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

6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3161120
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 82272154
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
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
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806529
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid (CID 84728495) is 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid is O=C(O)Cc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The InChIKey is OLAVPNZKJSRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)6-3-13-8-5(1-7(16)17)2-14-15(8)4-6/h2-4H,1H2,(H,16,17).
What are the key properties of 2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-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-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 84728495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).