3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine

C13H24N4O2S — CID 83223561

IUPAC3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C13H24N4O2S/c1-3-12-6-5-11(2)17(12)20(18,19)13-9-15-16(10-13)8-4-7-14/h9-12H,3-8,14H2,1-2H3
InChIKeyCJBIRSIOBLWPPD-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.18
Rot. Bonds6

About 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine

3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine (PubChem CID 83223561) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
PubChem CID83223561
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C13H24N4O2S/c1-3-12-6-5-11(2)17(12)20(18,19)13-9-15-16(10-13)8-4-7-14/h9-12H,3-8,14H2,1-2H3
InChIKeyCJBIRSIOBLWPPD-UHFFFAOYSA-N
XLogP1.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine (CID 83223561) is 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine is CCC1CCC(C)N1S(=O)(=O)c1cnn(CCCN)c1.
What is the InChIKey of 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine?
The InChIKey is CJBIRSIOBLWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-12-6-5-11(2)17(12)20(18,19)13-9-15-16(10-13)8-4-7-14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine?
3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 83223561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).