5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 54953963

IUPAC5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-9(8-15-5-3-4-6-15)14-18(16,17)11-7-12-13-10(11)2/h7,9,14H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyJENGHCXBDQXGQE-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.48
Rot. Bonds5

About 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54953963) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54953963
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-9(8-15-5-3-4-6-15)14-18(16,17)11-7-12-13-10(11)2/h7,9,14H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyJENGHCXBDQXGQE-UHFFFAOYSA-N
XLogP0.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 54953963) is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)CN1CCCC1.
What is the InChIKey of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JENGHCXBDQXGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(8-15-5-3-4-6-15)14-18(16,17)11-7-12-13-10(11)2/h7,9,14H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54953963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).