pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

C8H6F3N3O2 — CID 172721149

IUPACpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)
InChIKeyGNJXGDYOAVMHDG-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.36
Rot. Bonds

About pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 172721149) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID172721149
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Namepyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)
InChIKeyGNJXGDYOAVMHDG-UHFFFAOYSA-N
XLogP1.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (CID 172721149) is pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc2ccnn2c1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is GNJXGDYOAVMHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h1-5H;(H,6,7).
What are the key properties of pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 233.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).