2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine

C16H21Br2N3 — CID 105002460

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)cc2Br)c1Br
InChIInChI=1S/C16H21Br2N3/c1-4-14-16(18)15(21(5-2)20-14)9-13(19)11-7-6-10(3)8-12(11)17/h6-8,13H,4-5,9,19H2,1-3H3
InChIKeyNKOYSSJPRZWACV-UHFFFAOYSA-N
MW415.17 g/mol
LogP4.54
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine (PubChem CID 105002460) has the molecular formula C16H21Br2N3 and a molecular weight of 415.17 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
PubChem CID105002460
Molecular FormulaC16H21Br2N3
Molecular Weight415.17 g/mol
Exact Mass413.01
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)cc2Br)c1Br
InChIInChI=1S/C16H21Br2N3/c1-4-14-16(18)15(21(5-2)20-14)9-13(19)11-7-6-10(3)8-12(11)17/h6-8,13H,4-5,9,19H2,1-3H3
InChIKeyNKOYSSJPRZWACV-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 104994444
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine (CID 105002460) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine is CCc1nn(CC)c(CC(N)c2ccc(C)cc2Br)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine?
The InChIKey is NKOYSSJPRZWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2N3/c1-4-14-16(18)15(21(5-2)20-14)9-13(19)11-7-6-10(3)8-12(11)17/h6-8,13H,4-5,9,19H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine has a molecular weight of 415.17 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine is sourced from PubChem (CID 105002460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).