1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole

C9H15N3O2S — CID 118740188

IUPAC1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole
SMILESCS(=O)(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)12-7-2-4-9(12)8-11-6-3-5-10-11/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyPNMARNKCGCJHGA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.31
Rot. Bonds3

About 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole

1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 118740188) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID118740188
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole
SMILESCS(=O)(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)12-7-2-4-9(12)8-11-6-3-5-10-11/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyPNMARNKCGCJHGA-UHFFFAOYSA-N
XLogP0.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole (CID 118740188) is 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole is CS(=O)(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is PNMARNKCGCJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)12-7-2-4-9(12)8-11-6-3-5-10-11/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole?
1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 229.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 118740188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).