5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide

C8H12N4O3S — CID 105056074

IUPAC5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C8H12N4O3S/c1-5-7(4-10-11-5)16(14,15)12-6-2-8(13)9-3-6/h4,6,12H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyDDXMUPJLRKVFBS-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.12
Rot. Bonds3

About 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 105056074) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID105056074
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C8H12N4O3S/c1-5-7(4-10-11-5)16(14,15)12-6-2-8(13)9-3-6/h4,6,12H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyDDXMUPJLRKVFBS-UHFFFAOYSA-N
XLogP-1.12
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide (CID 105056074) is 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DDXMUPJLRKVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-5-7(4-10-11-5)16(14,15)12-6-2-8(13)9-3-6/h4,6,12H,2-3H2,1H3,(H,9,13)(H,10,11).
What are the key properties of 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 244.28 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-oxopyrrolidin-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 105056074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).