N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine

C11H21N3O2S — CID 65097132

IUPACN-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCS(=O)(=O)CC)c1
InChIInChI=1S/C11H21N3O2S/c1-3-12-8-11-9-13-14(10-11)6-5-7-17(15,16)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyJFZQYDUTDCOSSF-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.82
Rot. Bonds8

About N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 65097132) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID65097132
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCS(=O)(=O)CC)c1
InChIInChI=1S/C11H21N3O2S/c1-3-12-8-11-9-13-14(10-11)6-5-7-17(15,16)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyJFZQYDUTDCOSSF-UHFFFAOYSA-N
XLogP0.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]ethanamine
CID 114477113
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 62730479
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine (CID 65097132) is N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(CCCS(=O)(=O)CC)c1.
What is the InChIKey of N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is JFZQYDUTDCOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-12-8-11-9-13-14(10-11)6-5-7-17(15,16)4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65097132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).