5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine

C8H5F4N3O — CID 170053762

IUPAC5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(OCC(F)(F)F)n2nccc2n1
InChIInChI=1S/C8H5F4N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2
InChIKeySQGYCAALQVNQPZ-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine

5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 170053762) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID170053762
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(OCC(F)(F)F)n2nccc2n1
InChIInChI=1S/C8H5F4N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2
InChIKeySQGYCAALQVNQPZ-UHFFFAOYSA-N
XLogP1.81
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine (CID 170053762) is 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine is Fc1cc(OCC(F)(F)F)n2nccc2n1.
What is the InChIKey of 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SQGYCAALQVNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2.
What are the key properties of 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 235.14 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170053762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).