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

C10H16N4O3S — CID 131936491

IUPAC1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CC(=O)N(C)C2)cnn1C
InChIInChI=1S/C10H16N4O3S/c1-7-9(5-11-14(7)3)18(16,17)12-8-4-10(15)13(2)6-8/h5,8,12H,4,6H2,1-3H3
InChIKeyATHWHAMSFOGQQJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.76
Rot. Bonds3

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

1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide (PubChem CID 131936491) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
PubChem CID131936491
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CC(=O)N(C)C2)cnn1C
InChIInChI=1S/C10H16N4O3S/c1-7-9(5-11-14(7)3)18(16,17)12-8-4-10(15)13(2)6-8/h5,8,12H,4,6H2,1-3H3
InChIKeyATHWHAMSFOGQQJ-UHFFFAOYSA-N
XLogP-0.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide (CID 131936491) is 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2CC(=O)N(C)C2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The InChIKey is ATHWHAMSFOGQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-7-9(5-11-14(7)3)18(16,17)12-8-4-10(15)13(2)6-8/h5,8,12H,4,6H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 131936491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).