1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C18H24N4O2 — CID 45229589

IUPAC1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3cnn(C)c3)CC2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-21-12-15(11-20-21)10-19-16-9-18(23)22(13-16)8-7-14-3-5-17(24-2)6-4-14/h3-6,11-12,16,19H,7-10,13H2,1-2H3
InChIKeyZXDZDRFKZUJUOW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.36
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one

1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 45229589) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID45229589
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3cnn(C)c3)CC2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-21-12-15(11-20-21)10-19-16-9-18(23)22(13-16)8-7-14-3-5-17(24-2)6-4-14/h3-6,11-12,16,19H,7-10,13H2,1-2H3
InChIKeyZXDZDRFKZUJUOW-UHFFFAOYSA-N
XLogP1.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42287956
1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 25292872
1-[2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-imidazol-4-yl)methylamino]pyrrolidin-2-one
CID 45250844
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
(4R)-4-(dimethylsulfamoylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine
CID 42362146
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 45229589) is 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one is COc1ccc(CCN2CC(NCc3cnn(C)c3)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is ZXDZDRFKZUJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-12-15(11-20-21)10-19-16-9-18(23)22(13-16)8-7-14-3-5-17(24-2)6-4-14/h3-6,11-12,16,19H,7-10,13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45229589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).