1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine

C11H21N3O2S — CID 66442022

IUPAC1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1c(CNC)cnn1CCS(=O)(=O)CC
InChIInChI=1S/C11H21N3O2S/c1-4-11-10(8-12-3)9-13-14(11)6-7-17(15,16)5-2/h9,12H,4-8H2,1-3H3
InChIKeyRAUKTKYDEWFHDV-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.60
Rot. Bonds7

About 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine

1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 66442022) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID66442022
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1c(CNC)cnn1CCS(=O)(=O)CC
InChIInChI=1S/C11H21N3O2S/c1-4-11-10(8-12-3)9-13-14(11)6-7-17(15,16)5-2/h9,12H,4-8H2,1-3H3
InChIKeyRAUKTKYDEWFHDV-UHFFFAOYSA-N
XLogP0.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine (CID 66442022) is 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine is CCc1c(CNC)cnn1CCS(=O)(=O)CC.
What is the InChIKey of 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is RAUKTKYDEWFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-11-10(8-12-3)9-13-14(11)6-7-17(15,16)5-2/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 259.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66442022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).