1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C13H20N4O2 — CID 115319953

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CCn2cc(N)cn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)13(3)6-11(18)17(12(13)19)5-4-16-8-10(14)7-15-16/h7-9H,4-6,14H2,1-3H3
InChIKeySODKNENLEINGTE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 115319953) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID115319953
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CCn2cc(N)cn2)C1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)13(3)6-11(18)17(12(13)19)5-4-16-8-10(14)7-15-16/h7-9H,4-6,14H2,1-3H3
InChIKeySODKNENLEINGTE-UHFFFAOYSA-N
XLogP0.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.89
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-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115319952
3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 55039443
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 75484140
4-[2-(4-aminopyrazol-1-yl)ethyl]-6-chloro-1,4-benzoxazin-3-one
CID 62138640
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine
CID 115319964
1-[3-(2,2-dimethylcyclopropyl)propyl]pyrazol-4-amine
CID 165481618
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine
CID 62137880
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 78899614
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 115319953) is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(CCn2cc(N)cn2)C1=O.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is SODKNENLEINGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)13(3)6-11(18)17(12(13)19)5-4-16-8-10(14)7-15-16/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 115319953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).