1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide

C12H14N4O4S — CID 168719472

IUPAC1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnn2Cc2ccco2)C1
InChIInChI=1S/C12H14N4O4S/c13-21(18,19)10-6-12(17)15(8-10)11-3-4-14-16(11)7-9-2-1-5-20-9/h1-5,10H,6-8H2,(H2,13,18,19)
InChIKeyYWKQHIYEEWBRDC-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.08
Rot. Bonds4

About 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719472) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719472
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnn2Cc2ccco2)C1
InChIInChI=1S/C12H14N4O4S/c13-21(18,19)10-6-12(17)15(8-10)11-3-4-14-16(11)7-9-2-1-5-20-9/h1-5,10H,6-8H2,(H2,13,18,19)
InChIKeyYWKQHIYEEWBRDC-UHFFFAOYSA-N
XLogP-0.08
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide 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-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719470
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719599
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716142
1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712116
[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676171
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677741
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716927
1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168719472) is 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccnn2Cc2ccco2)C1.
What is the InChIKey of 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is YWKQHIYEEWBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c13-21(18,19)10-6-12(17)15(8-10)11-3-4-14-16(11)7-9-2-1-5-20-9/h1-5,10H,6-8H2,(H2,13,18,19).
What are the key properties of 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 310.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).