2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide

C15H16N4O4 — CID 146080754

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)CN2C(=O)CCC2=O)o1
InChIInChI=1S/C15H16N4O4/c1-18-11(6-7-17-18)12-3-2-10(23-12)8-16-13(20)9-19-14(21)4-5-15(19)22/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,20)
InChIKeyLVINMDYNVRULBZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.45
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide (PubChem CID 146080754) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide
PubChem CID146080754
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide
SMILESCn1nccc1-c1ccc(CNC(=O)CN2C(=O)CCC2=O)o1
InChIInChI=1S/C15H16N4O4/c1-18-11(6-7-17-18)12-3-2-10(23-12)8-16-13(20)9-19-14(21)4-5-15(19)22/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,20)
InChIKeyLVINMDYNVRULBZ-UHFFFAOYSA-N
XLogP0.45
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
CID 146078308
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide
CID 146080673
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 131899563
N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928920
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520469
5-methyl-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]thiophene-2-sulfonamide
CID 146080734
2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080782
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500653

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide (CID 146080754) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide is Cn1nccc1-c1ccc(CNC(=O)CN2C(=O)CCC2=O)o1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide?
The InChIKey is LVINMDYNVRULBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-18-11(6-7-17-18)12-3-2-10(23-12)8-16-13(20)9-19-14(21)4-5-15(19)22/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 146080754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).