2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol

C13H19BrN4O — CID 107978492

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cn(C)cn2)c1Br
InChIInChI=1S/C13H19BrN4O/c1-4-9-13(14)11(18(5-2)16-9)6-12(19)10-7-17(3)8-15-10/h7-8,12,19H,4-6H2,1-3H3
InChIKeyBTOYAHJWRYJSFD-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.24
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978492) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978492
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cn(C)cn2)c1Br
InChIInChI=1S/C13H19BrN4O/c1-4-9-13(14)11(18(5-2)16-9)6-12(19)10-7-17(3)8-15-10/h7-8,12,19H,4-6H2,1-3H3
InChIKeyBTOYAHJWRYJSFD-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 107979209
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115816337
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978492) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol is CCc1nn(CC)c(CC(O)c2cn(C)cn2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is BTOYAHJWRYJSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-4-9-13(14)11(18(5-2)16-9)6-12(19)10-7-17(3)8-15-10/h7-8,12,19H,4-6H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 327.23 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).