1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

C12H22N4O2S — CID 75449755

IUPAC1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C12H22N4O2S/c1-4-10-12(11(5-2)15(3)14-10)19(17,18)16-7-6-9(13)8-16/h9H,4-8,13H2,1-3H3
InChIKeyRZHNGZKTEFZMOP-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.27
Rot. Bonds4

About 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 75449755) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID75449755
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C12H22N4O2S/c1-4-10-12(11(5-2)15(3)14-10)19(17,18)16-7-6-9(13)8-16/h9H,4-8,13H2,1-3H3
InChIKeyRZHNGZKTEFZMOP-UHFFFAOYSA-N
XLogP0.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (CID 75449755) is 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is RZHNGZKTEFZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-10-12(11(5-2)15(3)14-10)19(17,18)16-7-6-9(13)8-16/h9H,4-8,13H2,1-3H3.
What are the key properties of 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 75449755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).