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

C11H16N4O2 — CID 112668716

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1nn(C)cc1CNC1CC(=O)NC1=O
InChIInChI=1S/C11H16N4O2/c1-3-8-7(6-15(2)14-8)5-12-9-4-10(16)13-11(9)17/h6,9,12H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyNRZIHHITQDTPBA-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.51
Rot. Bonds4

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

3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 112668716) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID112668716
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1nn(C)cc1CNC1CC(=O)NC1=O
InChIInChI=1S/C11H16N4O2/c1-3-8-7(6-15(2)14-8)5-12-9-4-10(16)13-11(9)17/h6,9,12H,3-5H2,1-2H3,(H,13,16,17)
InChIKeyNRZIHHITQDTPBA-UHFFFAOYSA-N
XLogP-0.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
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-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 115989481
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 112550364
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 112671523
3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989278
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
CID 106370763

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione (CID 112668716) is 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione is CCc1nn(C)cc1CNC1CC(=O)NC1=O.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is NRZIHHITQDTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-8-7(6-15(2)14-8)5-12-9-4-10(16)13-11(9)17/h6,9,12H,3-5H2,1-2H3,(H,13,16,17).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione?
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 112668716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).