1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol

C14H17BrN2O2 — CID 63894409

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2ccc(OC)c(Br)c2)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-10(8-16-17)6-13(18)11-4-5-14(19-2)12(15)7-11/h4-5,7-9,13,18H,3,6H2,1-2H3
InChIKeyHAHSZDHIERAUSU-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol

1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 63894409) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID63894409
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2ccc(OC)c(Br)c2)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-10(8-16-17)6-13(18)11-4-5-14(19-2)12(15)7-11/h4-5,7-9,13,18H,3,6H2,1-2H3
InChIKeyHAHSZDHIERAUSU-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 65476638
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821781
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822910
1-(3-bromo-4-methoxyphenyl)-3-sulfanylpropan-1-ol
CID 116830964
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol (CID 63894409) is 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)c2ccc(OC)c(Br)c2)cn1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is HAHSZDHIERAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-9-10(8-16-17)6-13(18)11-4-5-14(19-2)12(15)7-11/h4-5,7-9,13,18H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 63894409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).