N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide

C12H20N4O3S — CID 60700136

IUPACN,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O3S/c1-9-12(10(2)14-13-9)20(18,19)15(3)8-11(17)16-6-4-5-7-16/h4-8H2,1-3H3,(H,13,14)
InChIKeyCOIDZPCJELERJB-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.27
Rot. Bonds4

About N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60700136) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60700136
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O3S/c1-9-12(10(2)14-13-9)20(18,19)15(3)8-11(17)16-6-4-5-7-16/h4-8H2,1-3H3,(H,13,14)
InChIKeyCOIDZPCJELERJB-UHFFFAOYSA-N
XLogP0.27
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110335663
N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide
CID 110335606
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110335613
N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17402913
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide (CID 60700136) is N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCC1.
What is the InChIKey of N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is COIDZPCJELERJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-12(10(2)14-13-9)20(18,19)15(3)8-11(17)16-6-4-5-7-16/h4-8H2,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).