5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine

C13H15Br2N3O — CID 79799948

IUPAC5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
SMILESCCn1nc(C)c(Br)c1COc1ccc(CBr)nc1
InChIInChI=1S/C13H15Br2N3O/c1-3-18-12(13(15)9(2)17-18)8-19-11-5-4-10(6-14)16-7-11/h4-5,7H,3,6,8H2,1-2H3
InChIKeyHEDRZCLXSMDCLO-UHFFFAOYSA-N
MW389.09 g/mol
LogP3.84
Rot. Bonds5

About 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine

5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine (PubChem CID 79799948) has the molecular formula C13H15Br2N3O and a molecular weight of 389.09 g/mol. Its IUPAC name is 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine.

Molecular Properties

Compound Name5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
PubChem CID79799948
Molecular FormulaC13H15Br2N3O
Molecular Weight389.09 g/mol
Exact Mass386.96
IUPAC Name5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
SMILESCCn1nc(C)c(Br)c1COc1ccc(CBr)nc1
InChIInChI=1S/C13H15Br2N3O/c1-3-18-12(13(15)9(2)17-18)8-19-11-5-4-10(6-14)16-7-11/h4-5,7H,3,6,8H2,1-2H3
InChIKeyHEDRZCLXSMDCLO-UHFFFAOYSA-N
XLogP3.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-2-one
CID 115495376
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
CID 103201314
[3,5-dibromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]methanamine
CID 107741444
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720247
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107715669
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951898
2-(bromomethyl)-5-[(5-bromothiophen-2-yl)methoxy]pyridine
CID 79800755
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
CID 79800385
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine?
The IUPAC name of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine (CID 79799948) is 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine.
What is the SMILES notation for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine?
The canonical SMILES for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine is CCn1nc(C)c(Br)c1COc1ccc(CBr)nc1.
What is the InChIKey of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine?
The InChIKey is HEDRZCLXSMDCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O/c1-3-18-12(13(15)9(2)17-18)8-19-11-5-4-10(6-14)16-7-11/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine?
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine has a molecular weight of 389.09 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine is sourced from PubChem (CID 79799948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).