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

C9H14N4O4S — CID 168719470

IUPAC1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnn2CCO)C1
InChIInChI=1S/C9H14N4O4S/c10-18(16,17)7-5-9(15)12(6-7)8-1-2-11-13(8)3-4-14/h1-2,7,14H,3-6H2,(H2,10,16,17)
InChIKeyRHLVGZSNOCKNFK-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.73
Rot. Bonds4

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

1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719470) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719470
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccnn2CCO)C1
InChIInChI=1S/C9H14N4O4S/c10-18(16,17)7-5-9(15)12(6-7)8-1-2-11-13(8)3-4-14/h1-2,7,14H,3-6H2,(H2,10,16,17)
InChIKeyRHLVGZSNOCKNFK-UHFFFAOYSA-N
XLogP-1.73
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716142
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719472
1-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719049
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711070
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719599
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716927
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168719470) is 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccnn2CCO)C1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is RHLVGZSNOCKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c10-18(16,17)7-5-9(15)12(6-7)8-1-2-11-13(8)3-4-14/h1-2,7,14H,3-6H2,(H2,10,16,17).
What are the key properties of 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 274.30 g/mol, XLogP of -1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).