1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine

C14H26BrN3O — CID 116726183

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H26BrN3O/c1-6-10-13(15)11(18(7-2)17-10)9-12(16)14(4,5)19-8-3/h12H,6-9,16H2,1-5H3
InChIKeyIEEXARJVVNKXPL-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.91
Rot. Bonds7

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine (PubChem CID 116726183) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
PubChem CID116726183
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
SMILESCCOC(C)(C)C(N)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H26BrN3O/c1-6-10-13(15)11(18(7-2)17-10)9-12(16)14(4,5)19-8-3/h12H,6-9,16H2,1-5H3
InChIKeyIEEXARJVVNKXPL-UHFFFAOYSA-N
XLogP2.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-amine
CID 79198588
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215689
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721888
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5-dimethylhexan-2-one
CID 116608410
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757908
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726553

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine (CID 116726183) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine is CCOC(C)(C)C(N)Cc1c(Br)c(CC)nn1CC.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine?
The InChIKey is IEEXARJVVNKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-6-10-13(15)11(18(7-2)17-10)9-12(16)14(4,5)19-8-3/h12H,6-9,16H2,1-5H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine has a molecular weight of 332.29 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116726183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).