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

C10H8F3N3O2 — CID 82272219

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)8-6(2-3-7(17)18)9-14-4-1-5-16(9)15-8/h1,4-5H,2-3H2,(H,17,18)
InChIKeyVGUOTJBOZDSGGK-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (PubChem CID 82272219) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
PubChem CID82272219
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)8-6(2-3-7(17)18)9-14-4-1-5-16(9)15-8/h1,4-5H,2-3H2,(H,17,18)
InChIKeyVGUOTJBOZDSGGK-UHFFFAOYSA-N
XLogP1.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic 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-{2,5,7-Trimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 4962359
3-{4,6-Dimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-5-yl}propanoic acid
CID 18072090
3-(3-Carbamoyl-5,7-dimethylpyrazolo(1,5-a)pyrimidin-6-yl)propanoic acid
CID 39870955
3-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2743009
3-(5,7-Dimethylpyrazolo(1,5-a)pyrimidin-6-yl)propanoic acid
CID 4776440
3-{3-Cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 16637310
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 82603759
2-Methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 142491474
7-[1-(Trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 142491487
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-Fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxylic acid
CID 164600348

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (CID 82272219) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid is O=C(O)CCc1c(C(F)(F)F)nn2cccnc12.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The InChIKey is VGUOTJBOZDSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)8-6(2-3-7(17)18)9-14-4-1-5-16(9)15-8/h1,4-5H,2-3H2,(H,17,18).
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid has a molecular weight of 259.19 g/mol, XLogP of 1.77, 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-3-yl]propanoic acid is sourced from PubChem (CID 82272219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).