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

C15H20BrN3O2 — CID 107469351

IUPAC1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(OC)c1N
InChIInChI=1S/C15H20BrN3O2/c1-4-19-11(14(16)9(2)18-19)8-12(20)10-6-5-7-13(21-3)15(10)17/h5-7,12,20H,4,8,17H2,1-3H3
InChIKeyAYXYAMIHFQGXDK-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.84
Rot. Bonds5

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

1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol (PubChem CID 107469351) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
PubChem CID107469351
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(OC)c1N
InChIInChI=1S/C15H20BrN3O2/c1-4-19-11(14(16)9(2)18-19)8-12(20)10-6-5-7-13(21-3)15(10)17/h5-7,12,20H,4,8,17H2,1-3H3
InChIKeyAYXYAMIHFQGXDK-UHFFFAOYSA-N
XLogP2.84
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115812967
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
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1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
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1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115812795
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 104998127
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol (CID 107469351) is 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol is CCn1nc(C)c(Br)c1CC(O)c1cccc(OC)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The InChIKey is AYXYAMIHFQGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-19-11(14(16)9(2)18-19)8-12(20)10-6-5-7-13(21-3)15(10)17/h5-7,12,20H,4,8,17H2,1-3H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol has a molecular weight of 354.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 107469351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).