1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

C11H18N4O3S — CID 168716927

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)n(C)n1
InChIInChI=1S/C11H18N4O3S/c1-7(2)9-5-10(14(3)13-9)15-6-8(4-11(15)16)19(12,17)18/h5,7-8H,4,6H2,1-3H3,(H2,12,17,18)
InChIKeyRIAQXIFJCCUGQD-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.06
Rot. Bonds3

About 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716927) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716927
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)n(C)n1
InChIInChI=1S/C11H18N4O3S/c1-7(2)9-5-10(14(3)13-9)15-6-8(4-11(15)16)19(12,17)18/h5,7-8H,4,6H2,1-3H3,(H2,12,17,18)
InChIKeyRIAQXIFJCCUGQD-UHFFFAOYSA-N
XLogP-0.06
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690509
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719470
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168716927) is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is CC(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is RIAQXIFJCCUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7(2)9-5-10(14(3)13-9)15-6-8(4-11(15)16)19(12,17)18/h5,7-8H,4,6H2,1-3H3,(H2,12,17,18).
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).