1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C13H19N3O2 — CID 43547642

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-7(2)13(5)6-10(17)16(12(13)18)11-8(3)14-15-9(11)4/h7H,6H2,1-5H3,(H,14,15)
InChIKeyHOCUMVZTUVZEOJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43547642) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43547642
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-7(2)13(5)6-10(17)16(12(13)18)11-8(3)14-15-9(11)4/h7H,6H2,1-5H3,(H,14,15)
InChIKeyHOCUMVZTUVZEOJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069648
1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 43547645
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60791586
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
CID 61036933
1-(4-bromo-3-chlorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107612846
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115946879
1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437275
4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione
CID 43547727
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63650964
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 43547642) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is Cc1n[nH]c(C)c1N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is HOCUMVZTUVZEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)13(5)6-10(17)16(12(13)18)11-8(3)14-15-9(11)4/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43547642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).