4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole

C13H15BrN2O — CID 169336896

IUPAC4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1cc(COc2ccccc2Br)c(C)n1
InChIInChI=1S/C13H15BrN2O/c1-3-16-8-11(10(2)15-16)9-17-13-7-5-4-6-12(13)14/h4-8H,3,9H2,1-2H3
InChIKeyPNQUGTSGJJDTAM-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.55
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole

4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole (PubChem CID 169336896) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
PubChem CID169336896
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1cc(COc2ccccc2Br)c(C)n1
InChIInChI=1S/C13H15BrN2O/c1-3-16-8-11(10(2)15-16)9-17-13-7-5-4-6-12(13)14/h4-8H,3,9H2,1-2H3
InChIKeyPNQUGTSGJJDTAM-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

5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334730
5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376824
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]-3-fluorophenyl]isoindole-1,3-dione
CID 168518119
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462845
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
CID 117188596
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
CID 117192754
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442967
4-[(2-bromophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 726877

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole (CID 169336896) is 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole is CCn1cc(COc2ccccc2Br)c(C)n1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is PNQUGTSGJJDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16-8-11(10(2)15-16)9-17-13-7-5-4-6-12(13)14/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole?
4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole 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-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 169336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).