2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide

C15H22N4O3S — CID 71929051

IUPAC2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCn1cc(CCCNS(=O)(=O)N2CCCC2c2ccco2)cn1
InChIInChI=1S/C15H22N4O3S/c1-18-12-13(11-16-18)5-2-8-17-23(20,21)19-9-3-6-14(19)15-7-4-10-22-15/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3
InChIKeyPYCIEBAJZOPHAT-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.62
Rot. Bonds7

About 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide

2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide (PubChem CID 71929051) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide
PubChem CID71929051
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCn1cc(CCCNS(=O)(=O)N2CCCC2c2ccco2)cn1
InChIInChI=1S/C15H22N4O3S/c1-18-12-13(11-16-18)5-2-8-17-23(20,21)19-9-3-6-14(19)15-7-4-10-22-15/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3
InChIKeyPYCIEBAJZOPHAT-UHFFFAOYSA-N
XLogP1.62
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42897473
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 46954431
N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-yl]methyl]acetamide
CID 53590487
N-(furan-2-ylmethyl)-N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53626643
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56801209
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56825329
N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 71929026
2-(furan-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-sulfonamide
CID 71929033
N-ethyl-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929362
2-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929408
N-methyl-2-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929409
1-Ethyl-4-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 72133617

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide (CID 71929051) is 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide is Cn1cc(CCCNS(=O)(=O)N2CCCC2c2ccco2)cn1.
What is the InChIKey of 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is PYCIEBAJZOPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-18-12-13(11-16-18)5-2-8-17-23(20,21)19-9-3-6-14(19)15-7-4-10-22-15/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide?
2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).