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

C15H20BrN3O — CID 105002735

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-4-19-12(7-10(2)18-19)9-14(17)11-5-6-15(20-3)13(16)8-11/h5-8,14H,4,9,17H2,1-3H3
InChIKeySLLOVMCMHLWGCX-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.23
Rot. Bonds5

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

1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105002735) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105002735
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-4-19-12(7-10(2)18-19)9-14(17)11-5-6-15(20-3)13(16)8-11/h5-8,14H,4,9,17H2,1-3H3
InChIKeySLLOVMCMHLWGCX-UHFFFAOYSA-N
XLogP3.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 82809655
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315855
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373928
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
1-(3-bromo-4-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003150
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105002735) is 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CC(N)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is SLLOVMCMHLWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-19-12(7-10(2)18-19)9-14(17)11-5-6-15(20-3)13(16)8-11/h5-8,14H,4,9,17H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105002735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).