[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide

C10H16N4O3S — CID 168681984

IUPAC[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)(H2,11,16,17)
InChIKeyOTLHMXRCCXAQRW-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.91
Rot. Bonds5

About [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681984) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID168681984
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)(H2,11,16,17)
InChIKeyOTLHMXRCCXAQRW-UHFFFAOYSA-N
XLogP-0.91
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide (CID 168681984) is [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCc2cn[nH]c2)C1.
What is the InChIKey of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OTLHMXRCCXAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c11-18(16,17)7-9-3-10(15)14(6-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)(H2,11,16,17).
What are the key properties of [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).