4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole

C15H19BrN2O3 — CID 62125862

IUPAC4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2c(OC)cc(CBr)cc2OC)cn1
InChIInChI=1S/C15H19BrN2O3/c1-4-18-9-12(8-17-18)10-21-15-13(19-2)5-11(7-16)6-14(15)20-3/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeySCTKGBUOPPLFEG-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.39
Rot. Bonds7

About 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole

4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole (PubChem CID 62125862) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
PubChem CID62125862
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2c(OC)cc(CBr)cc2OC)cn1
InChIInChI=1S/C15H19BrN2O3/c1-4-18-9-12(8-17-18)10-21-15-13(19-2)5-11(7-16)6-14(15)20-3/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeySCTKGBUOPPLFEG-UHFFFAOYSA-N
XLogP3.39
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole
CID 104666304
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 19624946
[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 62127791
N-[[3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107742257
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 62126144
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole?
The IUPAC name of 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole (CID 62125862) is 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole is CCn1cc(COc2c(OC)cc(CBr)cc2OC)cn1.
What is the InChIKey of 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole?
The InChIKey is SCTKGBUOPPLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-4-18-9-12(8-17-18)10-21-15-13(19-2)5-11(7-16)6-14(15)20-3/h5-6,8-9H,4,7,10H2,1-3H3.
What are the key properties of 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole?
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole has a molecular weight of 355.23 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole is sourced from PubChem (CID 62125862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).