1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine

C13H24BrN3O2 — CID 114661608

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H24BrN3O2/c1-5-13(3,19-6-2)12(15)11-10(14)9-16-17(11)7-8-18-4/h9,12H,5-8,15H2,1-4H3
InChIKeySWOMZGKMKICQJU-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.50
Rot. Bonds8

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine (PubChem CID 114661608) has the molecular formula C13H24BrN3O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
PubChem CID114661608
Molecular FormulaC13H24BrN3O2
Molecular Weight334.26 g/mol
Exact Mass333.11
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C13H24BrN3O2/c1-5-13(3,19-6-2)12(15)11-10(14)9-16-17(11)7-8-18-4/h9,12H,5-8,15H2,1-4H3
InChIKeySWOMZGKMKICQJU-UHFFFAOYSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656663
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
CID 114661659
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol
CID 114644489
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105184211

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine (CID 114661608) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine is CCOC(C)(CC)C(N)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine?
The InChIKey is SWOMZGKMKICQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O2/c1-5-13(3,19-6-2)12(15)11-10(14)9-16-17(11)7-8-18-4/h9,12H,5-8,15H2,1-4H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 114661608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).