[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C9H14N4O3S — CID 168681795

IUPAC[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1cc(N2CC(CS(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C9H14N4O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3,(H2,10,15,16)
InChIKeyRRARTKXEBUPZKW-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.94
Rot. Bonds3

About [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681795) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681795
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1cc(N2CC(CS(N)(=O)=O)CC2=O)cn1
InChIInChI=1S/C9H14N4O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3,(H2,10,15,16)
InChIKeyRRARTKXEBUPZKW-UHFFFAOYSA-N
XLogP-0.94
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672716
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681216
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681795) is [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cn1cc(N2CC(CS(N)(=O)=O)CC2=O)cn1.
What is the InChIKey of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RRARTKXEBUPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-12-5-8(3-11-12)13-4-7(2-9(13)14)6-17(10,15)16/h3,5,7H,2,4,6H2,1H3,(H2,10,15,16).
What are the key properties of [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 258.30 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).