2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one

C18H18FN3O2 — CID 163349792

IUPAC2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1CC1CCCOC1
InChIInChI=1S/C18H18FN3O2/c19-15-5-3-14(4-6-15)16-10-17-18(23)21(7-8-22(17)20-16)11-13-2-1-9-24-12-13/h3-8,10,13H,1-2,9,11-12H2
InChIKeyYLIJBVVBFPMKGR-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163349792) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163349792
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1CC1CCCOC1
InChIInChI=1S/C18H18FN3O2/c19-15-5-3-14(4-6-15)16-10-17-18(23)21(7-8-22(17)20-16)11-13-2-1-9-24-12-13/h3-8,10,13H,1-2,9,11-12H2
InChIKeyYLIJBVVBFPMKGR-UHFFFAOYSA-N
XLogP2.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 163349792) is 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2ccn1CC1CCCOC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YLIJBVVBFPMKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-5-3-14(4-6-15)16-10-17-18(23)21(7-8-22(17)20-16)11-13-2-1-9-24-12-13/h3-8,10,13H,1-2,9,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163349792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).