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

C15H24N4O2 — CID 106104436

IUPAC3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCc2ccn(C)n2)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-12(5-2)19-14(20)10-13(15(19)21)16-8-6-11-7-9-18(3)17-11/h7,9,12-13,16H,4-6,8,10H2,1-3H3
InChIKeyPFKZHYMZBJADPS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.87
Rot. Bonds7

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

3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 106104436) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID106104436
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCc2ccn(C)n2)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-12(5-2)19-14(20)10-13(15(19)21)16-8-6-11-7-9-18(3)17-11/h7,9,12-13,16H,4-6,8,10H2,1-3H3
InChIKeyPFKZHYMZBJADPS-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.87
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-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 106104437
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 61004431
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64529830
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994
1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (CID 106104436) is 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCCc2ccn(C)n2)C1=O.
What is the InChIKey of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is PFKZHYMZBJADPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-12(5-2)19-14(20)10-13(15(19)21)16-8-6-11-7-9-18(3)17-11/h7,9,12-13,16H,4-6,8,10H2,1-3H3.
What are the key properties of 3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.87, 7 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-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106104436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).