1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine

C12H22BrN3O — CID 114661598

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1c(Br)cnn1CC
InChIInChI=1S/C12H22BrN3O/c1-5-12(4,17-7-3)11(14)10-9(13)8-15-16(10)6-2/h8,11H,5-7,14H2,1-4H3
InChIKeyPMFNKYUHSNOWSC-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine (PubChem CID 114661598) has the molecular formula C12H22BrN3O and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
PubChem CID114661598
Molecular FormulaC12H22BrN3O
Molecular Weight304.23 g/mol
Exact Mass303.09
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1c(Br)cnn1CC
InChIInChI=1S/C12H22BrN3O/c1-5-12(4,17-7-3)11(14)10-9(13)8-15-16(10)6-2/h8,11H,5-7,14H2,1-4H3
InChIKeyPMFNKYUHSNOWSC-UHFFFAOYSA-N
XLogP2.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
CID 114661608
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
CID 114661659
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656935
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine (CID 114661598) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine is CCOC(C)(CC)C(N)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine?
The InChIKey is PMFNKYUHSNOWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O/c1-5-12(4,17-7-3)11(14)10-9(13)8-15-16(10)6-2/h8,11H,5-7,14H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 114661598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).