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

C11H10F3N3O2 — CID 84810029

IUPAC2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C11H10F3N3O2/c1-6(10(18)19)2-7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19)
InChIKeyRGHPKFYDOQIFPR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.01
Rot. Bonds3

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

2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 84810029) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID84810029
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C11H10F3N3O2/c1-6(10(18)19)2-7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19)
InChIKeyRGHPKFYDOQIFPR-UHFFFAOYSA-N
XLogP2.01
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.01
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-(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;ethane
CID 177236156
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-Propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84713624
2-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 84728496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 84810029) is 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is CC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is RGHPKFYDOQIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6(10(18)19)2-7-4-15-9-3-8(11(12,13)14)16-17(9)5-7/h3-6H,2H2,1H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 273.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 84810029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).