1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione

C14H22N4O2 — CID 80682213

IUPAC1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-4-10(2)18-13(19)7-12(14(18)20)15-6-5-11-8-16-17(3)9-11/h8-10,12,15H,4-7H2,1-3H3
InChIKeyDTYKXFBWFKAXHP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds6

About 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 80682213) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID80682213
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-4-10(2)18-13(19)7-12(14(18)20)15-6-5-11-8-16-17(3)9-11/h8-10,12,15H,4-7H2,1-3H3
InChIKeyDTYKXFBWFKAXHP-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
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

1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 115989481
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
CID 63827659
tert-butyl N-[3-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
CID 104932994
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione (CID 80682213) is 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCCc2cnn(C)c2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is DTYKXFBWFKAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-10(2)18-13(19)7-12(14(18)20)15-6-5-11-8-16-17(3)9-11/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 80682213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).