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

C10H8F3N3O2 — CID 84729515

IUPAC3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-4-14-8-5-6(15-16(7)8)1-2-9(17)18/h3-5H,1-2H2,(H,17,18)
InChIKeyIIOFXQRNDWNRGU-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

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

3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid (PubChem CID 84729515) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
PubChem CID84729515
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-4-14-8-5-6(15-16(7)8)1-2-9(17)18/h3-5H,1-2H2,(H,17,18)
InChIKeyIIOFXQRNDWNRGU-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

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Related Compounds

3-[7-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 25248714
3-(5,7-Dimethylpyrazolo(1,5-a)pyrimidin-6-yl)propanoic acid
CID 4776440
3-[5-Ethyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 25251702
3-[1-(5-Fluoropyridin-2-yl)-1H-pyrazol-3-yl]propanoic acid
CID 86713067
2-(2,2-Difluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 139608466
2-(4,4,4-Trifluorobutyl)pyrazolo[1,5-a]pyrimidine
CID 139608467
2-(3,3,3-Trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 139608470
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-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 84728496
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729513
2-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729514

Frequently Asked Questions

What is the IUPAC name of 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CID 84729515) is 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid is O=C(O)CCc1cc2nccc(C(F)(F)F)n2n1.
What is the InChIKey of 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The InChIKey is IIOFXQRNDWNRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-4-14-8-5-6(15-16(7)8)1-2-9(17)18/h3-5H,1-2H2,(H,17,18).
What are the key properties of 3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
3-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-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-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 84729515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).