1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole

C11H10BrClN2O — CID 169336743

IUPAC1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
SMILESClc1cnn(CCOc2ccccc2Br)c1
InChIInChI=1S/C11H10BrClN2O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6H2
InChIKeyJVWKOTUOZIFAEB-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.38
Rot. Bonds4

About 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole

1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole (PubChem CID 169336743) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
PubChem CID169336743
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
SMILESClc1cnn(CCOc2ccccc2Br)c1
InChIInChI=1S/C11H10BrClN2O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6H2
InChIKeyJVWKOTUOZIFAEB-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
CID 168514051
2-[3-(4-chloropyrazol-1-yl)propoxy]aniline
CID 54909442
N-[[2-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62442705
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
2-[3-(4-chloropyrazol-1-yl)propoxy]benzoic acid
CID 55179546
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
4-chloro-1-[2-(2-fluoro-4-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
CID 168515204
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835
1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 84590338
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
1-[2-(2-bromophenoxy)ethyl]triazole-4-carbohydrazide
CID 63574657
(2R,5R)-1-[2-(2-bromophenoxy)ethyl]-2,5-dimethyl-2,5-dihydropyrrole
CID 91216513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole?
The IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole (CID 169336743) is 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole.
What is the SMILES notation for 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole?
The canonical SMILES for 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole is Clc1cnn(CCOc2ccccc2Br)c1.
What is the InChIKey of 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole?
The InChIKey is JVWKOTUOZIFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole?
1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole has a molecular weight of 301.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole is sourced from PubChem (CID 169336743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).