5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole

C15H18BrClN2O2 — CID 103003767

IUPAC5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole
SMILESCCOc1cc(CCl)cc(Br)c1OCCc1ccnn1C
InChIInChI=1S/C15H18BrClN2O2/c1-3-20-14-9-11(10-17)8-13(16)15(14)21-7-5-12-4-6-18-19(12)2/h4,6,8-9H,3,5,7,10H2,1-2H3
InChIKeyPPEAYQXFLNOSBH-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.94
Rot. Bonds7

About 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole

5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole (PubChem CID 103003767) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole
PubChem CID103003767
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole
SMILESCCOc1cc(CCl)cc(Br)c1OCCc1ccnn1C
InChIInChI=1S/C15H18BrClN2O2/c1-3-20-14-9-11(10-17)8-13(16)15(14)21-7-5-12-4-6-18-19(12)2/h4,6,8-9H,3,5,7,10H2,1-2H3
InChIKeyPPEAYQXFLNOSBH-UHFFFAOYSA-N
XLogP3.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.94
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

[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
CID 103003506
4-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891684
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003805
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
(1S)-1-[5-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999821
5-[2-[5-(bromomethyl)-2-nitrophenoxy]ethyl]-1-methylpyrazole
CID 103003781
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
1-bromo-5-(chloromethyl)-2-(3-ethoxypropoxy)-3-methoxybenzene
CID 65175709
5-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003812

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole (CID 103003767) is 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole is CCOc1cc(CCl)cc(Br)c1OCCc1ccnn1C.
What is the InChIKey of 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole?
The InChIKey is PPEAYQXFLNOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-3-20-14-9-11(10-17)8-13(16)15(14)21-7-5-12-4-6-18-19(12)2/h4,6,8-9H,3,5,7,10H2,1-2H3.
What are the key properties of 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole?
5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole has a molecular weight of 373.68 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103003767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).