[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C8H11ClN4O3S — CID 168683032

IUPAC[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(Cl)[nH]n2)C1
InChIInChI=1S/C8H11ClN4O3S/c9-6-2-7(12-11-6)13-3-5(1-8(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12)(H2,10,15,16)
InChIKeyYIDZJCCNIRNDKD-UHFFFAOYSA-N
MW278.72 g/mol
LogP-0.30
Rot. Bonds3

About [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683032) has the molecular formula C8H11ClN4O3S and a molecular weight of 278.72 g/mol. Its IUPAC name is [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683032
Molecular FormulaC8H11ClN4O3S
Molecular Weight278.72 g/mol
Exact Mass278.02
IUPAC Name[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2cc(Cl)[nH]n2)C1
InChIInChI=1S/C8H11ClN4O3S/c9-6-2-7(12-11-6)13-3-5(1-8(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12)(H2,10,15,16)
InChIKeyYIDZJCCNIRNDKD-UHFFFAOYSA-N
XLogP-0.30
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681244
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683032) is [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2cc(Cl)[nH]n2)C1.
What is the InChIKey of [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YIDZJCCNIRNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O3S/c9-6-2-7(12-11-6)13-3-5(1-8(13)14)4-17(10,15)16/h2,5H,1,3-4H2,(H,11,12)(H2,10,15,16).
What are the key properties of [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 278.72 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).