2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

C15H21Br2N3S — CID 105002408

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)c1sccc1Br
InChIInChI=1S/C15H21Br2N3S/c1-4-11-14(17)13(20(6-3)19-11)9-12(18-5-2)15-10(16)7-8-21-15/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyCEPPRJXPLHZGNK-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.95
Rot. Bonds7

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (PubChem CID 105002408) has the molecular formula C15H21Br2N3S and a molecular weight of 435.23 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
PubChem CID105002408
Molecular FormulaC15H21Br2N3S
Molecular Weight435.23 g/mol
Exact Mass432.98
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)c1sccc1Br
InChIInChI=1S/C15H21Br2N3S/c1-4-11-14(17)13(20(6-3)19-11)9-12(18-5-2)15-10(16)7-8-21-15/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyCEPPRJXPLHZGNK-UHFFFAOYSA-N
XLogP4.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104998119
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104994601
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105002467
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-ethylthiophen-2-yl)ethanol
CID 115816341
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222593
3-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105002376
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105002358
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine (CID 105002408) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1c(Br)c(CC)nn1CC)c1sccc1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
The InChIKey is CEPPRJXPLHZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N3S/c1-4-11-14(17)13(20(6-3)19-11)9-12(18-5-2)15-10(16)7-8-21-15/h7-8,12,18H,4-6,9H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine has a molecular weight of 435.23 g/mol, XLogP of 4.95, 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)-1-(3-bromothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105002408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).