[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H15N5O3S — CID 168681764

IUPAC[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(C)c(N2CC(CS(N)(=O)=O)CC2=O)c1C#N
InChIInChI=1S/C11H15N5O3S/c1-7-9(4-12)11(15(2)14-7)16-5-8(3-10(16)17)6-20(13,18)19/h8H,3,5-6H2,1-2H3,(H2,13,18,19)
InChIKeySVSWUNJNBSPOHX-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.76
Rot. Bonds3

About [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681764) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681764
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(C)c(N2CC(CS(N)(=O)=O)CC2=O)c1C#N
InChIInChI=1S/C11H15N5O3S/c1-7-9(4-12)11(15(2)14-7)16-5-8(3-10(16)17)6-20(13,18)19/h8H,3,5-6H2,1-2H3,(H2,13,18,19)
InChIKeySVSWUNJNBSPOHX-UHFFFAOYSA-N
XLogP-0.76
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 168662914
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681535
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382
[1-(2-cyano-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681429
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409
[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681812
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682883
[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682878
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681764) is [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1nn(C)c(N2CC(CS(N)(=O)=O)CC2=O)c1C#N.
What is the InChIKey of [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SVSWUNJNBSPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-7-9(4-12)11(15(2)14-7)16-5-8(3-10(16)17)6-20(13,18)19/h8H,3,5-6H2,1-2H3,(H2,13,18,19).
What are the key properties of [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).