3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C13H20N4O2 — CID 106104440

IUPAC3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-12(18)8-11(13(17)19)14-6-4-10-5-7-16(3)15-10/h5,7,9,11,14H,4,6,8H2,1-3H3
InChIKeyYBHOGNWTUJRYAS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.09
Rot. Bonds5

About 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106104440) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106104440
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCc2ccn(C)n2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)17-12(18)8-11(13(17)19)14-6-4-10-5-7-16(3)15-10/h5,7,9,11,14H,4,6,8H2,1-3H3
InChIKeyYBHOGNWTUJRYAS-UHFFFAOYSA-N
XLogP0.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106104436
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 106104437
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106044300
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 113434855
1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 43636535

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 106104440) is 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCCc2ccn(C)n2)C1=O.
What is the InChIKey of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is YBHOGNWTUJRYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)17-12(18)8-11(13(17)19)14-6-4-10-5-7-16(3)15-10/h5,7,9,11,14H,4,6,8H2,1-3H3.
What are the key properties of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106104440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).