4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one

C13H19N3O — CID 168683551

IUPAC4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C13H19N3O/c1-4-11-7-13(17)16(8-11)10(3)6-12-5-9(2)14-15-12/h4-5,10-11H,1,6-8H2,2-3H3,(H,14,15)
InChIKeyKGURWMLQSSGMRO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.68
Rot. Bonds4

About 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one

4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one (PubChem CID 168683551) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
PubChem CID168683551
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C13H19N3O/c1-4-11-7-13(17)16(8-11)10(3)6-12-5-9(2)14-15-12/h4-5,10-11H,1,6-8H2,2-3H3,(H,14,15)
InChIKeyKGURWMLQSSGMRO-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
CID 168506553
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
1-(5-butan-2-yl-1H-pyrazol-3-yl)-4-ethenylpyrrolidin-2-one
CID 168683600
1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
CID 168683828
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095
1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one
CID 168685047
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704
4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine
CID 97113534

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one (CID 168683551) is 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one is C=CC1CC(=O)N(C(C)Cc2cc(C)[nH]n2)C1.
What is the InChIKey of 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one?
The InChIKey is KGURWMLQSSGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-11-7-13(17)16(8-11)10(3)6-12-5-9(2)14-15-12/h4-5,10-11H,1,6-8H2,2-3H3,(H,14,15).
What are the key properties of 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one?
4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168683551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).