2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C16H24BrN3S — CID 105002467

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)c1ccc(C)s1
InChIInChI=1S/C16H24BrN3S/c1-5-12-16(17)14(20(7-3)19-12)10-13(18-6-2)15-9-8-11(4)21-15/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyDUNVBQCVAKMBRL-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.49
Rot. Bonds7

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105002467) has the molecular formula C16H24BrN3S and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105002467
Molecular FormulaC16H24BrN3S
Molecular Weight370.36 g/mol
Exact Mass369.09
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)c1ccc(C)s1
InChIInChI=1S/C16H24BrN3S/c1-5-12-16(17)14(20(7-3)19-12)10-13(18-6-2)15-9-8-11(4)21-15/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyDUNVBQCVAKMBRL-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105002358
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222593
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
3-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105002376
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
CID 105318898
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105002335

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 105002467) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1c(Br)c(CC)nn1CC)c1ccc(C)s1.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is DUNVBQCVAKMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3S/c1-5-12-16(17)14(20(7-3)19-12)10-13(18-6-2)15-9-8-11(4)21-15/h8-9,13,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 370.36 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105002467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).