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

C15H27BrN4O — CID 79663738

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(N)Cc2c(Br)c(C)nn2CC)C1
InChIInChI=1S/C15H27BrN4O/c1-4-6-19-7-8-21-14(10-19)12(17)9-13-15(16)11(3)18-20(13)5-2/h12,14H,4-10,17H2,1-3H3
InChIKeyHIBAYNFFMLZIDT-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.95
Rot. Bonds6

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

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine (PubChem CID 79663738) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine
PubChem CID79663738
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(N)Cc2c(Br)c(C)nn2CC)C1
InChIInChI=1S/C15H27BrN4O/c1-4-6-19-7-8-21-14(10-19)12(17)9-13-15(16)11(3)18-20(13)5-2/h12,14H,4-10,17H2,1-3H3
InChIKeyHIBAYNFFMLZIDT-UHFFFAOYSA-N
XLogP1.95
TPSA56.31 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-2-yl]ethanamine
CID 115315705
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79962612
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104998317
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanamine
CID 79657163
2-(1-methylimidazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79761546
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665894
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
2-(furan-3-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 83182261
1-(4-propylmorpholin-2-yl)-2-pyridin-2-ylethanamine
CID 79657229
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666023
2-(2-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658002

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine (CID 79663738) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine is CCCN1CCOC(C(N)Cc2c(Br)c(C)nn2CC)C1.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine?
The InChIKey is HIBAYNFFMLZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-4-6-19-7-8-21-14(10-19)12(17)9-13-15(16)11(3)18-20(13)5-2/h12,14H,4-10,17H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine has a molecular weight of 359.31 g/mol, XLogP of 1.95, 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-ethyl-3-methylpyrazol-5-yl)-1-(4-propylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).