N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine

C15H21N3O2S — CID 103780937

IUPACN-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H21N3O2S/c1-3-21(19,20)10-9-16-13(2)14-11-17-18(12-14)15-7-5-4-6-8-15/h4-8,11-13,16H,3,9-10H2,1-2H3
InChIKeyADCLBQKGCTXCPA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.96
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine

N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 103780937) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID103780937
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H21N3O2S/c1-3-21(19,20)10-9-16-13(2)14-11-17-18(12-14)15-7-5-4-6-8-15/h4-8,11-13,16H,3,9-10H2,1-2H3
InChIKeyADCLBQKGCTXCPA-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)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

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine (CID 103780937) is N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine is CCS(=O)(=O)CCNC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is ADCLBQKGCTXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-21(19,20)10-9-16-13(2)14-11-17-18(12-14)15-7-5-4-6-8-15/h4-8,11-13,16H,3,9-10H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103780937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).