2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol

C13H19BrN4O — CID 66133514

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C13H19BrN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3
InChIKeyLFVGLXHIWGIXPB-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66133514) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
PubChem CID66133514
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C13H19BrN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3
InChIKeyLFVGLXHIWGIXPB-UHFFFAOYSA-N
XLogP2.47
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
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CID 66134532
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CID 107538503
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-chlorothiophen-2-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol (CID 66133514) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(O)Cc1c(Br)c(C)nn1CC.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is LFVGLXHIWGIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-4-17-8-15-7-11(17)12(19)6-10-13(14)9(3)16-18(10)5-2/h7-8,12,19H,4-6H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 327.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66133514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).