1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol

C13H23BrN2O2 — CID 116502490

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(C)COC)c1Br
InChIInChI=1S/C13H23BrN2O2/c1-5-10-13(14)11(16(6-2)15-10)7-12(17)9(3)8-18-4/h9,12,17H,5-8H2,1-4H3
InChIKeyVLTAFQOZLIFITD-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol

1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol (PubChem CID 116502490) has the molecular formula C13H23BrN2O2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
PubChem CID116502490
Molecular FormulaC13H23BrN2O2
Molecular Weight319.24 g/mol
Exact Mass318.09
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(C)COC)c1Br
InChIInChI=1S/C13H23BrN2O2/c1-5-10-13(14)11(16(6-2)15-10)7-12(17)9(3)8-18-4/h9,12,17H,5-8H2,1-4H3
InChIKeyVLTAFQOZLIFITD-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
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1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
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1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
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1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
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CID 105272187
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753161
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol (CID 116502490) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol is CCc1nn(CC)c(CC(O)C(C)COC)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol?
The InChIKey is VLTAFQOZLIFITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O2/c1-5-10-13(14)11(16(6-2)15-10)7-12(17)9(3)8-18-4/h9,12,17H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol has a molecular weight of 319.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 116502490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).