[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C11H16ClN3O3S — CID 168673561

IUPAC[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cc(CN2CC(CS(=O)(=O)Cl)CC2=O)n(C)n1
InChIInChI=1S/C11H16ClN3O3S/c1-8-3-10(14(2)13-8)6-15-5-9(4-11(15)16)7-19(12,17)18/h3,9H,4-7H2,1-2H3
InChIKeyKKMUMCIXXUFUIK-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.65
Rot. Bonds4

About [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673561) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673561
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cc(CN2CC(CS(=O)(=O)Cl)CC2=O)n(C)n1
InChIInChI=1S/C11H16ClN3O3S/c1-8-3-10(14(2)13-8)6-15-5-9(4-11(15)16)7-19(12,17)18/h3,9H,4-7H2,1-2H3
InChIKeyKKMUMCIXXUFUIK-UHFFFAOYSA-N
XLogP0.65
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673561) is [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is Cc1cc(CN2CC(CS(=O)(=O)Cl)CC2=O)n(C)n1.
What is the InChIKey of [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is KKMUMCIXXUFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-8-3-10(14(2)13-8)6-15-5-9(4-11(15)16)7-19(12,17)18/h3,9H,4-7H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 305.79 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).