5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H20N4O2 — CID 123605403

IUPAC5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccn3)nn21
InChIInChI=1S/C20H20N4O2/c1-15-12-23(13-16-7-3-2-4-8-16)20(25)18-11-17(22-24(15)18)14-26-19-9-5-6-10-21-19/h2-11,15H,12-14H2,1H3
InChIKeyVBFFPSCUBKAQFH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.07
Rot. Bonds5

About 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123605403) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123605403
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccn3)nn21
InChIInChI=1S/C20H20N4O2/c1-15-12-23(13-16-7-3-2-4-8-16)20(25)18-11-17(22-24(15)18)14-26-19-9-5-6-10-21-19/h2-11,15H,12-14H2,1H3
InChIKeyVBFFPSCUBKAQFH-UHFFFAOYSA-N
XLogP3.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123605403) is 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccn3)nn21.
What is the InChIKey of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VBFFPSCUBKAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-12-23(13-16-7-3-2-4-8-16)20(25)18-11-17(22-24(15)18)14-26-19-9-5-6-10-21-19/h2-11,15H,12-14H2,1H3.
What are the key properties of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).