4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole

C13H15BrN2O2 — CID 116804533

IUPAC4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccc(OC)c(Br)c2)cn1
InChIInChI=1S/C13H15BrN2O2/c1-3-16-8-11(7-15-16)18-9-10-4-5-13(17-2)12(14)6-10/h4-8H,3,9H2,1-2H3
InChIKeyIBXUOXGXNNSQKP-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.25
Rot. Bonds5

About 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole

4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole (PubChem CID 116804533) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
PubChem CID116804533
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
SMILESCCn1cc(OCc2ccc(OC)c(Br)c2)cn1
InChIInChI=1S/C13H15BrN2O2/c1-3-16-8-11(7-15-16)18-9-10-4-5-13(17-2)12(14)6-10/h4-8H,3,9H2,1-2H3
InChIKeyIBXUOXGXNNSQKP-UHFFFAOYSA-N
XLogP3.25
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349
2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79800696
3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole?
The IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole (CID 116804533) is 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole.
What is the SMILES notation for 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole?
The canonical SMILES for 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole is CCn1cc(OCc2ccc(OC)c(Br)c2)cn1.
What is the InChIKey of 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole?
The InChIKey is IBXUOXGXNNSQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-16-8-11(7-15-16)18-9-10-4-5-13(17-2)12(14)6-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole?
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole has a molecular weight of 311.18 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole is sourced from PubChem (CID 116804533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).