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

C9H14N4O3S — CID 168682120

IUPAC[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O3S/c10-17(15,16)6-7-1-9(14)13(4-7)5-8-2-11-12-3-8/h2-3,7H,1,4-6H2,(H,11,12)(H2,10,15,16)
InChIKeyMYJAVSOUEXNONQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.95
Rot. Bonds4

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

[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682120) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168682120
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(Cc2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O3S/c10-17(15,16)6-7-1-9(14)13(4-7)5-8-2-11-12-3-8/h2-3,7H,1,4-6H2,(H,11,12)(H2,10,15,16)
InChIKeyMYJAVSOUEXNONQ-UHFFFAOYSA-N
XLogP-0.95
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (CID 168682120) is [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(Cc2cn[nH]c2)C1.
What is the InChIKey of [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MYJAVSOUEXNONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-17(15,16)6-7-1-9(14)13(4-7)5-8-2-11-12-3-8/h2-3,7H,1,4-6H2,(H,11,12)(H2,10,15,16).
What are the key properties of [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 258.30 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).