1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C17H28N6O2 — CID 110876730

IUPAC1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCN(C)CCN1CCC(N2CCN(C(=O)c3ccnn3C)CC2)C1=O
InChIInChI=1S/C17H28N6O2/c1-19(2)8-9-22-7-5-15(17(22)25)21-10-12-23(13-11-21)16(24)14-4-6-18-20(14)3/h4,6,15H,5,7-13H2,1-3H3
InChIKeyXOMHUWPVNCGAEF-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.66
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 110876730) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID110876730
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCN(C)CCN1CCC(N2CCN(C(=O)c3ccnn3C)CC2)C1=O
InChIInChI=1S/C17H28N6O2/c1-19(2)8-9-22-7-5-15(17(22)25)21-10-12-23(13-11-21)16(24)14-4-6-18-20(14)3/h4,6,15H,5,7-13H2,1-3H3
InChIKeyXOMHUWPVNCGAEF-UHFFFAOYSA-N
XLogP-0.66
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 110876730) is 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one is CN(C)CCN1CCC(N2CCN(C(=O)c3ccnn3C)CC2)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is XOMHUWPVNCGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-19(2)8-9-22-7-5-15(17(22)25)21-10-12-23(13-11-21)16(24)14-4-6-18-20(14)3/h4,6,15H,5,7-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 348.45 g/mol, XLogP of -0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 110876730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).