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

C11H10F3N3O2 — CID 84810030

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid
SMILESCC(CC(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C11H10F3N3O2/c1-6(2-10(18)19)7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19)
InChIKeyMTRRPEMARDTOPD-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.33
Rot. Bonds3

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid (PubChem CID 84810030) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid
PubChem CID84810030
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid
SMILESCC(CC(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C11H10F3N3O2/c1-6(2-10(18)19)7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19)
InChIKeyMTRRPEMARDTOPD-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(5,7-Dimethylpyrazolo(1,5-a)pyrimidin-6-yl)propanoic acid
CID 4776440
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 82603759
3-(2,3-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 47003176
3-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 91456682
2-(Difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 150348481
3,3-Dimethyl-11-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxylic acid
CID 164600126
11-(Difluoromethyl)-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxylic acid
CID 164600432
Tert-butyl 2-cyano-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 177236157
3-[5,7-Dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82269767
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 82272154
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 82272219
2-Propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84713624

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid (CID 84810030) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid is CC(CC(=O)O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid?
The InChIKey is MTRRPEMARDTOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6(2-10(18)19)7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19).
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid has a molecular weight of 273.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid is sourced from PubChem (CID 84810030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).