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

C15H19Br2N3 — CID 104998312

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CC(N)c1cc(C)ccc1Br
InChIInChI=1S/C15H19Br2N3/c1-4-20-14(15(17)10(3)19-20)8-13(18)11-7-9(2)5-6-12(11)16/h5-7,13H,4,8,18H2,1-3H3
InChIKeyNEOOSBVRCAFOSI-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.29
Rot. Bonds4

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

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine (PubChem CID 104998312) has the molecular formula C15H19Br2N3 and a molecular weight of 401.15 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
PubChem CID104998312
Molecular FormulaC15H19Br2N3
Molecular Weight401.15 g/mol
Exact Mass398.99
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CC(N)c1cc(C)ccc1Br
InChIInChI=1S/C15H19Br2N3/c1-4-20-14(15(17)10(3)19-20)8-13(18)11-7-9(2)5-6-12(11)16/h5-7,13H,4,8,18H2,1-3H3
InChIKeyNEOOSBVRCAFOSI-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 104998174
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanamine
CID 104998153
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115812795
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66423871
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127530
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine (CID 104998312) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine is CCn1nc(C)c(Br)c1CC(N)c1cc(C)ccc1Br.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine?
The InChIKey is NEOOSBVRCAFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3/c1-4-20-14(15(17)10(3)19-20)8-13(18)11-7-9(2)5-6-12(11)16/h5-7,13H,4,8,18H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine has a molecular weight of 401.15 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine is sourced from PubChem (CID 104998312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).