5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C8H4F3N3O3 — CID 137308303

IUPAC5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C8H4F3N3O3/c9-8(10,11)4-2-6(15)12-5-1-3(7(16)17)13-14(4)5/h1-2H,(H,12,15)(H,16,17)
InChIKeyMFGNGBYHIFGIPF-UHFFFAOYSA-N
MW247.13 g/mol
LogP0.74
Rot. Bonds1

About 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 137308303) has the molecular formula C8H4F3N3O3 and a molecular weight of 247.13 g/mol. Its IUPAC name is 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID137308303
Molecular FormulaC8H4F3N3O3
Molecular Weight247.13 g/mol
Exact Mass247.02
IUPAC Name5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C8H4F3N3O3/c9-8(10,11)4-2-6(15)12-5-1-3(7(16)17)13-14(4)5/h1-2H,(H,12,15)(H,16,17)
InChIKeyMFGNGBYHIFGIPF-UHFFFAOYSA-N
XLogP0.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 137308303) is 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MFGNGBYHIFGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O3/c9-8(10,11)4-2-6(15)12-5-1-3(7(16)17)13-14(4)5/h1-2H,(H,12,15)(H,16,17).
What are the key properties of 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 247.13 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 137308303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).