1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

C14H20BrN3S — CID 104996013

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1cc(C)c(Br)s1
InChIInChI=1S/C14H20BrN3S/c1-5-16-12(13-6-9(2)14(15)19-13)8-11-7-10(3)17-18(11)4/h6-7,12,16H,5,8H2,1-4H3
InChIKeyIMGHYJXOLRYHTD-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.75
Rot. Bonds5

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (PubChem CID 104996013) has the molecular formula C14H20BrN3S and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
PubChem CID104996013
Molecular FormulaC14H20BrN3S
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1cc(C)c(Br)s1
InChIInChI=1S/C14H20BrN3S/c1-5-16-12(13-6-9(2)14(15)19-13)8-11-7-10(3)17-18(11)4/h6-7,12,16H,5,8H2,1-4H3
InChIKeyIMGHYJXOLRYHTD-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315837
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011239
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996026
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029716
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (CID 104996013) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is CCNC(Cc1cc(C)nn1C)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The InChIKey is IMGHYJXOLRYHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S/c1-5-16-12(13-6-9(2)14(15)19-13)8-11-7-10(3)17-18(11)4/h6-7,12,16H,5,8H2,1-4H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine has a molecular weight of 342.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 104996013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).