4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole

C13H15BrN2O — CID 107283989

IUPAC4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2cc(Br)ccc2C)cn1
InChIInChI=1S/C13H15BrN2O/c1-3-16-8-11(7-15-16)9-17-13-6-12(14)5-4-10(13)2/h4-8H,3,9H2,1-2H3
InChIKeySOKUBJOCAQXJFX-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.55
Rot. Bonds4

About 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole

4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole (PubChem CID 107283989) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
PubChem CID107283989
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2cc(Br)ccc2C)cn1
InChIInChI=1S/C13H15BrN2O/c1-3-16-8-11(7-15-16)9-17-13-6-12(14)5-4-10(13)2/h4-8H,3,9H2,1-2H3
InChIKeySOKUBJOCAQXJFX-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656268
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
CID 107657153
N-[[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62126870
3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 62126152
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
CID 62127952
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole?
The IUPAC name of 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole (CID 107283989) is 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole is CCn1cc(COc2cc(Br)ccc2C)cn1.
What is the InChIKey of 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole?
The InChIKey is SOKUBJOCAQXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16-8-11(7-15-16)9-17-13-6-12(14)5-4-10(13)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole?
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole has a molecular weight of 295.18 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole is sourced from PubChem (CID 107283989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).