2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

C16H24BrN3S — CID 104994601

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)c1sccc1CC
InChIInChI=1S/C16H24BrN3S/c1-5-11-8-9-21-16(11)13(18-7-3)10-14-15(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyHPBSPKXWYIILHC-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.26
Rot. Bonds7

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 104994601) has the molecular formula C16H24BrN3S and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID104994601
Molecular FormulaC16H24BrN3S
Molecular Weight370.36 g/mol
Exact Mass369.09
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)c1sccc1CC
InChIInChI=1S/C16H24BrN3S/c1-5-11-8-9-21-16(11)13(18-7-3)10-14-15(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyHPBSPKXWYIILHC-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-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-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 104994410
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105157600
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 104994582
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104994528
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105157639
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003199
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine (CID 104994601) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is CCNC(Cc1c(Br)c(CC)nn1C)c1sccc1CC.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is HPBSPKXWYIILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3S/c1-5-11-8-9-21-16(11)13(18-7-3)10-14-15(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 370.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104994601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).