4-(4-bromophenoxy)-1-ethylpyrazole

C11H11BrN2O — CID 117229573

IUPAC4-(4-bromophenoxy)-1-ethylpyrazole
SMILESCCn1cc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H11BrN2O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyPVTXMMJKKYSRHI-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.46
Rot. Bonds3

About 4-(4-bromophenoxy)-1-ethylpyrazole

4-(4-bromophenoxy)-1-ethylpyrazole (PubChem CID 117229573) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(4-bromophenoxy)-1-ethylpyrazole
PubChem CID117229573
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-(4-bromophenoxy)-1-ethylpyrazole
SMILESCCn1cc(Oc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H11BrN2O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyPVTXMMJKKYSRHI-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
CID 116801689
3-bromo-4-(1-ethylpyrazol-4-yl)oxybenzonitrile
CID 116801191
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
CID 106999377

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-1-ethylpyrazole?
The IUPAC name of 4-(4-bromophenoxy)-1-ethylpyrazole (CID 117229573) is 4-(4-bromophenoxy)-1-ethylpyrazole.
What is the SMILES notation for 4-(4-bromophenoxy)-1-ethylpyrazole?
The canonical SMILES for 4-(4-bromophenoxy)-1-ethylpyrazole is CCn1cc(Oc2ccc(Br)cc2)cn1.
What is the InChIKey of 4-(4-bromophenoxy)-1-ethylpyrazole?
The InChIKey is PVTXMMJKKYSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-14-8-11(7-13-14)15-10-5-3-9(12)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 4-(4-bromophenoxy)-1-ethylpyrazole?
4-(4-bromophenoxy)-1-ethylpyrazole has a molecular weight of 267.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-1-ethylpyrazole is sourced from PubChem (CID 117229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).