2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline

C14H19N3O2S — CID 91662211

IUPAC2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1N(C)CCn1cccn1
InChIInChI=1S/C14H19N3O2S/c1-3-20(18,19)14-8-5-4-7-13(14)16(2)11-12-17-10-6-9-15-17/h4-10H,3,11-12H2,1-2H3
InChIKeyJLGLBURYDOFBSG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.81
Rot. Bonds6

About 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline

2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline (PubChem CID 91662211) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline
PubChem CID91662211
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1N(C)CCn1cccn1
InChIInChI=1S/C14H19N3O2S/c1-3-20(18,19)14-8-5-4-7-13(14)16(2)11-12-17-10-6-9-15-17/h4-10H,3,11-12H2,1-2H3
InChIKeyJLGLBURYDOFBSG-UHFFFAOYSA-N
XLogP1.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline (CID 91662211) is 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline is CCS(=O)(=O)c1ccccc1N(C)CCn1cccn1.
What is the InChIKey of 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline?
The InChIKey is JLGLBURYDOFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-20(18,19)14-8-5-4-7-13(14)16(2)11-12-17-10-6-9-15-17/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline?
2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline has a molecular weight of 293.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methyl-N-(2-pyrazol-1-ylethyl)aniline is sourced from PubChem (CID 91662211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).