2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine

C13H16BrN3O — CID 114255323

IUPAC2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(Br)c2)nn1C
InChIInChI=1S/C13H16BrN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3
InChIKeyDLIUNISFHANPQX-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine

2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine (PubChem CID 114255323) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
PubChem CID114255323
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(Br)c2)nn1C
InChIInChI=1S/C13H16BrN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3
InChIKeyDLIUNISFHANPQX-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255324
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
CID 63987893
2-(3-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200559
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine (CID 114255323) is 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine is COc1cc(C(N)Cc2cccc(Br)c2)nn1C.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The InChIKey is DLIUNISFHANPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine has a molecular weight of 310.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114255323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).