1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C18H22N4O3 — CID 126948156

IUPAC1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-12-8-16(13(2)25-12)18(24)20-7-5-14(10-20)22-11-15(9-19-22)21-6-3-4-17(21)23/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyOEFBTDVXIVLUGQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.31
Rot. Bonds3

About 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948156) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948156
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-12-8-16(13(2)25-12)18(24)20-7-5-14(10-20)22-11-15(9-19-22)21-6-3-4-17(21)23/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyOEFBTDVXIVLUGQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948169
1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948200
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948496
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 126901167
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948191
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945566
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948156) is 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cc1cc(C(=O)N2CCC(n3cc(N4CCCC4=O)cn3)C2)c(C)o1.
What is the InChIKey of 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is OEFBTDVXIVLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-8-16(13(2)25-12)18(24)20-7-5-14(10-20)22-11-15(9-19-22)21-6-3-4-17(21)23/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).