4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole

C15H19BrN2O2 — CID 107667685

IUPAC4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCCc1ccc(OCc2c(Br)c(C)nn2C)c(OC)c1
InChIInChI=1S/C15H19BrN2O2/c1-5-11-6-7-13(14(8-11)19-4)20-9-12-15(16)10(2)17-18(12)3/h6-8H,5,9H2,1-4H3
InChIKeyMWNMOSDFSYNNBD-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.64
Rot. Bonds5

About 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole

4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole (PubChem CID 107667685) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
PubChem CID107667685
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCCc1ccc(OCc2c(Br)c(C)nn2C)c(OC)c1
InChIInChI=1S/C15H19BrN2O2/c1-5-11-6-7-13(14(8-11)19-4)20-9-12-15(16)10(2)17-18(12)3/h6-8H,5,9H2,1-4H3
InChIKeyMWNMOSDFSYNNBD-UHFFFAOYSA-N
XLogP3.64
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 83140822
4-bromo-3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]aniline
CID 103008965
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025715
4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 79406350
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 107665144
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
CID 103201314
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole (CID 107667685) is 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole is CCc1ccc(OCc2c(Br)c(C)nn2C)c(OC)c1.
What is the InChIKey of 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The InChIKey is MWNMOSDFSYNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-5-11-6-7-13(14(8-11)19-4)20-9-12-15(16)10(2)17-18(12)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole has a molecular weight of 339.23 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 107667685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).