3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

C12H12F3N3O2 — CID 82269767

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2cc(C(F)(F)F)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H12F3N3O2/c1-6-8(3-4-11(19)20)7(2)18-10(16-6)5-9(17-18)12(13,14)15/h5H,3-4H2,1-2H3,(H,19,20)
InChIKeySTUNZSIRHDTVMI-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.38
Rot. Bonds3

About 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 82269767) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID82269767
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2cc(C(F)(F)F)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H12F3N3O2/c1-6-8(3-4-11(19)20)7(2)18-10(16-6)5-9(17-18)12(13,14)15/h5H,3-4H2,1-2H3,(H,19,20)
InChIKeySTUNZSIRHDTVMI-UHFFFAOYSA-N
XLogP2.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 1092114
2,5,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-6-propanoic acid
CID 6485514
3-{2,5,7-Trimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 4962359
3-{5,7-Dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanoic acid
CID 6618905
3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 4962635
3-[5,7-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 7131366
3-(5-Isopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 25252399
3-(3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl)propanoic acid
CID 6625127
3-[2-(3-Fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 20854964
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-[5,7-dimethyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-yl]propanoic acid
CID 8829769

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 82269767) is 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is Cc1nc2cc(C(F)(F)F)nn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is STUNZSIRHDTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-6-8(3-4-11(19)20)7(2)18-10(16-6)5-9(17-18)12(13,14)15/h5H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 287.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 82269767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).