[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H16N4O3S — CID 168680917

IUPAC[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCn1nccc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H16N4O3S/c1-2-14-9(3-4-12-14)13-6-8(5-10(13)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3,(H2,11,16,17)
InChIKeyPNKNAQVLRYDXEH-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.46
Rot. Bonds4

About [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680917) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680917
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCn1nccc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H16N4O3S/c1-2-14-9(3-4-12-14)13-6-8(5-10(13)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3,(H2,11,16,17)
InChIKeyPNKNAQVLRYDXEH-UHFFFAOYSA-N
XLogP-0.46
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
CID 168683228
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485
[1-(2-butan-2-ylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672528
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500602
[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676171
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677741
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680917) is [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCn1nccc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PNKNAQVLRYDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-2-14-9(3-4-12-14)13-6-8(5-10(13)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3,(H2,11,16,17).
What are the key properties of [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).