1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine

C15H28BrN3O — CID 79617561

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1CC)C(C)OC
InChIInChI=1S/C15H28BrN3O/c1-6-9-17-13(11(4)20-5)10-14-15(16)12(7-2)18-19(14)8-3/h11,13,17H,6-10H2,1-5H3
InChIKeyIFBZFINPCFCCLA-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.17
Rot. Bonds9

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine (PubChem CID 79617561) has the molecular formula C15H28BrN3O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
PubChem CID79617561
Molecular FormulaC15H28BrN3O
Molecular Weight346.31 g/mol
Exact Mass345.14
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1CC)C(C)OC
InChIInChI=1S/C15H28BrN3O/c1-6-9-17-13(11(4)20-5)10-14-15(16)12(7-2)18-19(14)8-3/h11,13,17H,6-10H2,1-5H3
InChIKeyIFBZFINPCFCCLA-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
[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-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272187
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-N-methylbutan-2-amine
CID 79616805
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717324
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757908

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine (CID 79617561) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine is CCCNC(Cc1c(Br)c(CC)nn1CC)C(C)OC.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine?
The InChIKey is IFBZFINPCFCCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3O/c1-6-9-17-13(11(4)20-5)10-14-15(16)12(7-2)18-19(14)8-3/h11,13,17H,6-10H2,1-5H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 3.17, 9 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-methoxy-N-propylbutan-2-amine is sourced from PubChem (CID 79617561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).