2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

C10H8F3N3O3 — CID 82269788

IUPAC2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1nc2cc(C(F)(F)F)[nH]n2c(=O)c1CC(=O)O
InChIInChI=1S/C10H8F3N3O3/c1-4-5(2-8(17)18)9(19)16-7(14-4)3-6(15-16)10(11,12)13/h3,15H,2H2,1H3,(H,17,18)
InChIKeyZAAQXYOIAKYBSW-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.98
Rot. Bonds2

About 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 82269788) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID82269788
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1nc2cc(C(F)(F)F)[nH]n2c(=O)c1CC(=O)O
InChIInChI=1S/C10H8F3N3O3/c1-4-5(2-8(17)18)9(19)16-7(14-4)3-6(15-16)10(11,12)13/h3,15H,2H2,1H3,(H,17,18)
InChIKeyZAAQXYOIAKYBSW-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 82269788) is 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is Cc1nc2cc(C(F)(F)F)[nH]n2c(=O)c1CC(=O)O.
What is the InChIKey of 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is ZAAQXYOIAKYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-4-5(2-8(17)18)9(19)16-7(14-4)3-6(15-16)10(11,12)13/h3,15H,2H2,1H3,(H,17,18).
What are the key properties of 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 275.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-7-oxo-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 82269788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).