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

C10H8F3N3O2 — CID 84729512

IUPAC3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESO=C(O)CCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-4-14-9-6(1-2-8(17)18)3-15-16(9)5-7/h3-5H,1-2H2,(H,17,18)
InChIKeyCWWPERGQZGBEGK-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

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

3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (PubChem CID 84729512) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
PubChem CID84729512
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
SMILESO=C(O)CCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-4-14-9-6(1-2-8(17)18)3-15-16(9)5-7/h3-5H,1-2H2,(H,17,18)
InChIKeyCWWPERGQZGBEGK-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

Pyrazolo[1,5-a]pyrimidine-6-propanol, 6-acetate
CID 12773582
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 82603759
3-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 91456682
3-[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]propanoic acid
CID 160409142
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 82272219
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 84728495
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806135
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806529
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carboxylic acid
CID 84809754
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810029

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid (CID 84729512) is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid is O=C(O)CCc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
The InChIKey is CWWPERGQZGBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)7-4-14-9-6(1-2-8(17)18)3-15-16(9)5-7/h3-5H,1-2H2,(H,17,18).
What are the key properties of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid?
3-[6-(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-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid is sourced from PubChem (CID 84729512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).