1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one

C13H22N4O — CID 106106502

IUPAC1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CCc2ccn(C)n2)C1=O
InChIInChI=1S/C13H22N4O/c1-3-7-14-12-6-10-17(13(12)18)9-5-11-4-8-16(2)15-11/h4,8,12,14H,3,5-7,9-10H2,1-2H3
InChIKeyONFIZSPJANOEFX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.56
Rot. Bonds6

About 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one

1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one (PubChem CID 106106502) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
PubChem CID106106502
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CCc2ccn(C)n2)C1=O
InChIInChI=1S/C13H22N4O/c1-3-7-14-12-6-10-17(13(12)18)9-5-11-4-8-16(2)15-11/h4,8,12,14H,3,5-7,9-10H2,1-2H3
InChIKeyONFIZSPJANOEFX-UHFFFAOYSA-N
XLogP0.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 106104437
1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 62308222
N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
CID 114175431
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106104436
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
CID 106039918
1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one (CID 106106502) is 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(CCc2ccn(C)n2)C1=O.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The InChIKey is ONFIZSPJANOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-7-14-12-6-10-17(13(12)18)9-5-11-4-8-16(2)15-11/h4,8,12,14H,3,5-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 106106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).