2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

C19H23N3O2 — CID 90636279

IUPAC2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(23)22-10-7-17(13-22)24-18-12-20-8-9-21-18/h3-6,8-9,12,14,17H,7,10-11,13H2,1-2H3
InChIKeyXABFXQFJLNPJGD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 90636279) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID90636279
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(23)22-10-7-17(13-22)24-18-12-20-8-9-21-18/h3-6,8-9,12,14,17H,7,10-11,13H2,1-2H3
InChIKeyXABFXQFJLNPJGD-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 90639739
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636191
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90637390
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (CID 90636279) is 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is CC(C)c1ccc(CC(=O)N2CCC(Oc3cnccn3)C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is XABFXQFJLNPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(23)22-10-7-17(13-22)24-18-12-20-8-9-21-18/h3-6,8-9,12,14,17H,7,10-11,13H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).