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

C18H21N3O3 — CID 72703406

IUPAC5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1C1CCOCC1
InChIInChI=1S/C18H21N3O3/c22-18-17-12-14(13-24-16-4-2-1-3-5-16)19-21(17)9-8-20(18)15-6-10-23-11-7-15/h1-5,12,15H,6-11,13H2
InChIKeyOEKYTHZYVJQYHA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds4

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

5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 72703406) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID72703406
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1C1CCOCC1
InChIInChI=1S/C18H21N3O3/c22-18-17-12-14(13-24-16-4-2-1-3-5-16)19-21(17)9-8-20(18)15-6-10-23-11-7-15/h1-5,12,15H,6-11,13H2
InChIKeyOEKYTHZYVJQYHA-UHFFFAOYSA-N
XLogP2.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 162185434
5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976051
2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123597967
5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973971
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975977
5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077
5-(6-methylpyrazin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973649
5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123551618
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974517
5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973966

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 72703406) is 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1C1CCOCC1.
What is the InChIKey of 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OEKYTHZYVJQYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18-17-12-14(13-24-16-4-2-1-3-5-16)19-21(17)9-8-20(18)15-6-10-23-11-7-15/h1-5,12,15H,6-11,13H2.
What are the key properties of 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 72703406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).