1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine

C13H22N4O2S — CID 63174913

IUPAC1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H22N4O2S/c1-11-13(9-14-15-11)20(18,19)17-8-5-12(10-17)16-6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,14,15)
InChIKeyQGJSRPHXCWZUDH-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine

1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine (PubChem CID 63174913) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
PubChem CID63174913
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H22N4O2S/c1-11-13(9-14-15-11)20(18,19)17-8-5-12(10-17)16-6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,14,15)
InChIKeyQGJSRPHXCWZUDH-UHFFFAOYSA-N
XLogP0.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine (CID 63174913) is 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine is Cc1[nH]ncc1S(=O)(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine?
The InChIKey is QGJSRPHXCWZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11-13(9-14-15-11)20(18,19)17-8-5-12(10-17)16-6-3-2-4-7-16/h9,12H,2-8,10H2,1H3,(H,14,15).
What are the key properties of 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine?
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine has a molecular weight of 298.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 63174913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).