[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate

C10H8F3N3O3 — CID 141275969

IUPAC[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate
SMILESCC(=O)OCn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-6(17)19-5-15-8-4-7(10(11,12)13)14-16(8)3-2-9(15)18/h2-4H,5H2,1H3
InChIKeyFBJUPKNMDRTOAF-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.04
Rot. Bonds2

About [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate

[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate (PubChem CID 141275969) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate
PubChem CID141275969
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate
SMILESCC(=O)OCn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-6(17)19-5-15-8-4-7(10(11,12)13)14-16(8)3-2-9(15)18/h2-4H,5H2,1H3
InChIKeyFBJUPKNMDRTOAF-UHFFFAOYSA-N
XLogP1.04
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate?
The IUPAC name of [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate (CID 141275969) is [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate.
What is the SMILES notation for [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate?
The canonical SMILES for [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate is CC(=O)OCn1c(=O)ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate?
The InChIKey is FBJUPKNMDRTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-6(17)19-5-15-8-4-7(10(11,12)13)14-16(8)3-2-9(15)18/h2-4H,5H2,1H3.
What are the key properties of [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate?
[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate has a molecular weight of 275.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate is sourced from PubChem (CID 141275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).