[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide

C13H16N4O3S2 — CID 168683228

IUPAC[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnn2Cc2cccs2)C1
InChIInChI=1S/C13H16N4O3S2/c14-22(19,20)9-10-6-13(18)16(7-10)12-3-4-15-17(12)8-11-2-1-5-21-11/h1-5,10H,6-9H2,(H2,14,19,20)
InChIKeyXYFKRFOAKRHLRS-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.63
Rot. Bonds5

About [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683228) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID168683228
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnn2Cc2cccs2)C1
InChIInChI=1S/C13H16N4O3S2/c14-22(19,20)9-10-6-13(18)16(7-10)12-3-4-15-17(12)8-11-2-1-5-21-11/h1-5,10H,6-9H2,(H2,14,19,20)
InChIKeyXYFKRFOAKRHLRS-UHFFFAOYSA-N
XLogP0.63
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677741
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
S-[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl] ethanethioate
CID 168707309
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485
[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676171
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674483
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719472
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide (CID 168683228) is [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccnn2Cc2cccs2)C1.
What is the InChIKey of [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XYFKRFOAKRHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c14-22(19,20)9-10-6-13(18)16(7-10)12-3-4-15-17(12)8-11-2-1-5-21-11/h1-5,10H,6-9H2,(H2,14,19,20).
What are the key properties of [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).