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

C15H24N4O2 — CID 115989481

IUPAC1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1nn(C)cc1CNC1CC(=O)N(C(C)CC)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-10(3)19-14(20)7-13(15(19)21)16-8-11-9-18(4)17-12(11)6-2/h9-10,13,16H,5-8H2,1-4H3
InChIKeyJPNJKZHDASBDCD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.00
Rot. Bonds6

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

1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 115989481) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID115989481
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1nn(C)cc1CNC1CC(=O)N(C(C)CC)C1=O
InChIInChI=1S/C15H24N4O2/c1-5-10(3)19-14(20)7-13(15(19)21)16-8-11-9-18(4)17-12(11)6-2/h9-10,13,16H,5-8H2,1-4H3
InChIKeyJPNJKZHDASBDCD-UHFFFAOYSA-N
XLogP1.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.00
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-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
1-butan-2-yl-3-(pyridazin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 106895511
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
1-butan-2-yl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 62117125
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione (CID 115989481) is 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione is CCc1nn(C)cc1CNC1CC(=O)N(C(C)CC)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is JPNJKZHDASBDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-10(3)19-14(20)7-13(15(19)21)16-8-11-9-18(4)17-12(11)6-2/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.00, 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-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 115989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).