1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol

C11H11BrN2O2 — CID 116799367

IUPAC1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCOc2cccc(Br)c2)c1
InChIInChI=1S/C11H11BrN2O2/c12-9-2-1-3-11(6-9)16-5-4-14-8-10(15)7-13-14/h1-3,6-8,15H,4-5H2
InChIKeyIGYSTRXJEKZNIU-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol

1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol (PubChem CID 116799367) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
PubChem CID116799367
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCOc2cccc(Br)c2)c1
InChIInChI=1S/C11H11BrN2O2/c12-9-2-1-3-11(6-9)16-5-4-14-8-10(15)7-13-14/h1-3,6-8,15H,4-5H2
InChIKeyIGYSTRXJEKZNIU-UHFFFAOYSA-N
XLogP2.43
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]ethanone
CID 62728540
N-[[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110916
3-[2-(4-bromopyrazol-1-yl)ethoxy]benzonitrile
CID 54909741
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-[2-(3-bromophenoxy)ethyl]triazole-4-carboxylic acid
CID 43151006
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
1-[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62579974
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
4-[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 104539190
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol (CID 116799367) is 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol is Oc1cnn(CCOc2cccc(Br)c2)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol?
The InChIKey is IGYSTRXJEKZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-2-1-3-11(6-9)16-5-4-14-8-10(15)7-13-14/h1-3,6-8,15H,4-5H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol?
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol has a molecular weight of 283.12 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol is sourced from PubChem (CID 116799367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).