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

C10H8F3N3O2 — CID 84806135

IUPAC3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESO=C(O)CCc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-8-14-4-6(1-2-9(17)18)5-16(8)15-7/h3-5H,1-2H2,(H,17,18)
InChIKeyNVWRWVMKAMCZKW-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

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

3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 84806135) 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-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID84806135
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESO=C(O)CCc1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-8-14-4-6(1-2-9(17)18)5-16(8)15-7/h3-5H,1-2H2,(H,17,18)
InChIKeyNVWRWVMKAMCZKW-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-(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
Tert-butyl 2-cyano-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 177236157
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-3-yl]propanoic acid
CID 84729512
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-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 84806135) is 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is O=C(O)CCc1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is NVWRWVMKAMCZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-8-14-4-6(1-2-9(17)18)5-16(8)15-7/h3-5H,1-2H2,(H,17,18).
What are the key properties of 3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-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-6-yl]propanoic acid is sourced from PubChem (CID 84806135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).