5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H14FN5O2 — CID 67974471

IUPAC5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1
InChIInChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
InChIKeyNAXOZSWVZBCFEI-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.05
Rot. Bonds4

About 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974471) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974471
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1
InChIInChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
InChIKeyNAXOZSWVZBCFEI-UHFFFAOYSA-N
XLogP2.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974471) is 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NAXOZSWVZBCFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 339.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).