2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine

C15H27BrN4O — CID 79665894

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C1CN(CC)CCO1
InChIInChI=1S/C15H27BrN4O/c1-5-17-12(14-10-20(6-2)7-8-21-14)9-13-15(16)11(3)18-19(13)4/h12,14,17H,5-10H2,1-4H3
InChIKeyQILRWHXMWZVAFZ-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine (PubChem CID 79665894) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
PubChem CID79665894
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C1CN(CC)CCO1
InChIInChI=1S/C15H27BrN4O/c1-5-17-12(14-10-20(6-2)7-8-21-14)9-13-15(16)11(3)18-19(13)4/h12,14,17H,5-10H2,1-4H3
InChIKeyQILRWHXMWZVAFZ-UHFFFAOYSA-N
XLogP1.73
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093448
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247717
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050180
N-ethyl-1-(4-ethylmorpholin-2-yl)-4-methylpentan-1-amine
CID 79669723
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546899
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
N-ethyl-1-(4-ethylmorpholin-2-yl)-4,4-dimethylpentan-1-amine
CID 79669489
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824289
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247730
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663738
N-ethyl-1-(4-ethylmorpholin-2-yl)pent-3-yn-1-amine
CID 79668802

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine (CID 79665894) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine is CCNC(Cc1c(Br)c(C)nn1C)C1CN(CC)CCO1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
The InChIKey is QILRWHXMWZVAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-5-17-12(14-10-20(6-2)7-8-21-14)9-13-15(16)11(3)18-19(13)4/h12,14,17H,5-10H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine has a molecular weight of 359.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79665894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).