[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol

C16H21BrN2O2 — CID 82700763

IUPAC[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(CCOc2cccc(Br)c2)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O2/c1-3-15-14(11-20)16(4-2)19(18-15)8-9-21-13-7-5-6-12(17)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3
InChIKeyZFFHOONMEGWXOB-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.34
Rot. Bonds7

About [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol

[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 82700763) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID82700763
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(CCOc2cccc(Br)c2)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O2/c1-3-15-14(11-20)16(4-2)19(18-15)8-9-21-13-7-5-6-12(17)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3
InChIKeyZFFHOONMEGWXOB-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103218905
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 79225159
7-[2-(3-bromophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione
CID 4808156
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
CID 84712644
1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
CID 116618781
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
CID 116799367

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol (CID 82700763) is [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(CCOc2cccc(Br)c2)c(CC)c1CO.
What is the InChIKey of [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is ZFFHOONMEGWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-3-15-14(11-20)16(4-2)19(18-15)8-9-21-13-7-5-6-12(17)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3.
What are the key properties of [1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 353.26 g/mol, XLogP of 3.34, 7 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]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 82700763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).