4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

C11H20N4O2S — CID 83217894

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H20N4O2S/c1-4-9-6-5-8(2)15(9)18(16,17)10-7-14(3)13-11(10)12/h7-9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyWFTJRATTWCOIQD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.95
Rot. Bonds3

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (PubChem CID 83217894) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
PubChem CID83217894
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H20N4O2S/c1-4-9-6-5-8(2)15(9)18(16,17)10-7-14(3)13-11(10)12/h7-9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyWFTJRATTWCOIQD-UHFFFAOYSA-N
XLogP0.95
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (CID 83217894) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is CCC1CCC(C)N1S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The InChIKey is WFTJRATTWCOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-9-6-5-8(2)15(9)18(16,17)10-7-14(3)13-11(10)12/h7-9H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine has a molecular weight of 272.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 83217894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).