5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C17H20F3N5O3 — CID 155826886

IUPAC5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(OCC2CN(C3CCC3)Cc3ccnn32)nc1
InChIInChI=1S/C15H19N5O.C2HF3O2/c1-3-12(4-1)19-9-13-5-8-18-20(13)14(10-19)11-21-15-16-6-2-7-17-15;3-2(4,5)1(6)7/h2,5-8,12,14H,1,3-4,9-11H2;(H,6,7)
InChIKeyWUEZMKFIGZQAKV-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.29
Rot. Bonds4

About 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155826886) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155826886
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(OCC2CN(C3CCC3)Cc3ccnn32)nc1
InChIInChI=1S/C15H19N5O.C2HF3O2/c1-3-12(4-1)19-9-13-5-8-18-20(13)14(10-19)11-21-15-16-6-2-7-17-15;3-2(4,5)1(6)7/h2,5-8,12,14H,1,3-4,9-11H2;(H,6,7)
InChIKeyWUEZMKFIGZQAKV-UHFFFAOYSA-N
XLogP2.29
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155826886) is 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc(OCC2CN(C3CCC3)Cc3ccnn32)nc1.
What is the InChIKey of 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is WUEZMKFIGZQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C2HF3O2/c1-3-12(4-1)19-9-13-5-8-18-20(13)14(10-19)11-21-15-16-6-2-7-17-15;3-2(4,5)1(6)7/h2,5-8,12,14H,1,3-4,9-11H2;(H,6,7).
What are the key properties of 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 399.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).