1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one

C13H20N4O — CID 168684258

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cnn(CCN(C)C)c2)C1
InChIInChI=1S/C13H20N4O/c1-4-11-7-13(18)17(9-11)12-8-14-16(10-12)6-5-15(2)3/h4,8,10-11H,1,5-7,9H2,2-3H3
InChIKeyKNXPSGKXGDDPJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one

1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one (PubChem CID 168684258) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one
PubChem CID168684258
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cnn(CCN(C)C)c2)C1
InChIInChI=1S/C13H20N4O/c1-4-11-7-13(18)17(9-11)12-8-14-16(10-12)6-5-15(2)3/h4,8,10-11H,1,5-7,9H2,2-3H3
InChIKeyKNXPSGKXGDDPJD-UHFFFAOYSA-N
XLogP0.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one (CID 168684258) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cnn(CCN(C)C)c2)C1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one?
The InChIKey is KNXPSGKXGDDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-11-7-13(18)17(9-11)12-8-14-16(10-12)6-5-15(2)3/h4,8,10-11H,1,5-7,9H2,2-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one?
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).