1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol

C13H16BrN3O2 — CID 114644859

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCCn1ncc(Br)c1C(O)Cc1ccc(OC)nc1
InChIInChI=1S/C13H16BrN3O2/c1-3-17-13(10(14)8-16-17)11(18)6-9-4-5-12(19-2)15-7-9/h4-5,7-8,11,18H,3,6H2,1-2H3
InChIKeyXOUOIVILQIHWBF-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 114644859) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID114644859
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCCn1ncc(Br)c1C(O)Cc1ccc(OC)nc1
InChIInChI=1S/C13H16BrN3O2/c1-3-17-13(10(14)8-16-17)11(18)6-9-4-5-12(19-2)15-7-9/h4-5,7-8,11,18H,3,6H2,1-2H3
InChIKeyXOUOIVILQIHWBF-UHFFFAOYSA-N
XLogP2.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
[1-(2-ethyl-1,2,4-triazol-3-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 112744345
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol (CID 114644859) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol is CCn1ncc(Br)c1C(O)Cc1ccc(OC)nc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is XOUOIVILQIHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-3-17-13(10(14)8-16-17)11(18)6-9-4-5-12(19-2)15-7-9/h4-5,7-8,11,18H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 326.19 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 114644859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).