5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline

C14H18BrN3O2 — CID 103201314

IUPAC5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
SMILESCCn1nc(C)c(Br)c1COc1ccc(OC)c(N)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-18-12(14(15)9(2)17-18)8-20-10-5-6-13(19-3)11(16)7-10/h5-7H,4,8,16H2,1-3H3
InChIKeyIESFWHJMNYLIKK-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.14
Rot. Bonds5

About 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline

5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline (PubChem CID 103201314) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
PubChem CID103201314
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
SMILESCCn1nc(C)c(Br)c1COc1ccc(OC)c(N)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-18-12(14(15)9(2)17-18)8-20-10-5-6-13(19-3)11(16)7-10/h5-7H,4,8,16H2,1-3H3
InChIKeyIESFWHJMNYLIKK-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107715669
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720247
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698635
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-2-one
CID 115495376
[3,5-dibromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]methanamine
CID 107741444
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115812967
1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107469351

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline?
The IUPAC name of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline (CID 103201314) is 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline.
What is the SMILES notation for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline?
The canonical SMILES for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline is CCn1nc(C)c(Br)c1COc1ccc(OC)c(N)c1.
What is the InChIKey of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline?
The InChIKey is IESFWHJMNYLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-4-18-12(14(15)9(2)17-18)8-20-10-5-6-13(19-3)11(16)7-10/h5-7H,4,8,16H2,1-3H3.
What are the key properties of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline?
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline has a molecular weight of 340.22 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline is sourced from PubChem (CID 103201314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).