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

C11H11BrN2O — CID 46739423

IUPAC1-[2-(4-bromophenoxy)ethyl]pyrazole
SMILESBrc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-2-4-11(5-3-10)15-9-8-14-7-1-6-13-14/h1-7H,8-9H2
InChIKeyBRGYKVOROQGFLJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.72
Rot. Bonds4

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

1-[2-(4-bromophenoxy)ethyl]pyrazole (PubChem CID 46739423) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]pyrazole
PubChem CID46739423
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-[2-(4-bromophenoxy)ethyl]pyrazole
SMILESBrc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-2-4-11(5-3-10)15-9-8-14-7-1-6-13-14/h1-7H,8-9H2
InChIKeyBRGYKVOROQGFLJ-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
CID 80964955
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
1-(3-phenoxypropyl)pyrazole
CID 55028379
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
1-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]pyrazole
CID 102674559
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
CID 61495027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]pyrazole?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]pyrazole (CID 46739423) is 1-[2-(4-bromophenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]pyrazole?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]pyrazole is Brc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]pyrazole?
The InChIKey is BRGYKVOROQGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-2-4-11(5-3-10)15-9-8-14-7-1-6-13-14/h1-7H,8-9H2.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]pyrazole?
1-[2-(4-bromophenoxy)ethyl]pyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]pyrazole is sourced from PubChem (CID 46739423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).