3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine

C11H20BrN3O — CID 114666706

IUPAC3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
SMILESCNCCC(C)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H20BrN3O/c1-9(4-5-13-2)11-10(12)8-14-15(11)6-7-16-3/h8-9,13H,4-7H2,1-3H3
InChIKeyILSSJBNWJTYNLA-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.01
Rot. Bonds7

About 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine

3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine (PubChem CID 114666706) has the molecular formula C11H20BrN3O and a molecular weight of 290.21 g/mol. Its IUPAC name is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
PubChem CID114666706
Molecular FormulaC11H20BrN3O
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
SMILESCNCCC(C)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H20BrN3O/c1-9(4-5-13-2)11-10(12)8-14-15(11)6-7-16-3/h8-9,13H,4-7H2,1-3H3
InChIKeyILSSJBNWJTYNLA-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
CID 114649769
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypropyl]hydrazine
CID 105222964
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfonylpropan-1-amine
CID 105043039
3-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114666702
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 105043131
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine?
The IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine (CID 114666706) is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine?
The canonical SMILES for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine is CNCCC(C)c1c(Br)cnn1CCOC.
What is the InChIKey of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine?
The InChIKey is ILSSJBNWJTYNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-9(4-5-13-2)11-10(12)8-14-15(11)6-7-16-3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine?
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine has a molecular weight of 290.21 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 114666706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).