5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H17F2N3O2 — CID 123551618

IUPAC5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc(F)c1F
InChIInChI=1S/C20H17F2N3O2/c21-17-8-4-5-14(19(17)22)12-24-9-10-25-18(20(24)26)11-15(23-25)13-27-16-6-2-1-3-7-16/h1-8,11H,9-10,12-13H2
InChIKeyVHULFORTMKAJJB-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.40
Rot. Bonds5

About 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123551618) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123551618
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc(F)c1F
InChIInChI=1S/C20H17F2N3O2/c21-17-8-4-5-14(19(17)22)12-24-9-10-25-18(20(24)26)11-15(23-25)13-27-16-6-2-1-3-7-16/h1-8,11H,9-10,12-13H2
InChIKeyVHULFORTMKAJJB-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077
5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157264643
5-[(4-ethylpyrimidin-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158598241
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72700574
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974517
5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160527549
5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975977
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123597967
5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 158478677
5-cyclopentyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 162185434

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123551618) is 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VHULFORTMKAJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-17-8-4-5-14(19(17)22)12-24-9-10-25-18(20(24)26)11-15(23-25)13-27-16-6-2-1-3-7-16/h1-8,11H,9-10,12-13H2.
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123551618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).