1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol

C11H20N2O2 — CID 114635185

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(OC)cnn1CC
InChIInChI=1S/C11H20N2O2/c1-5-8(3)11(14)10-9(15-4)7-12-13(10)6-2/h7-8,11,14H,5-6H2,1-4H3
InChIKeyHTQZSWYIMYAOTB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.99
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol (PubChem CID 114635185) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
PubChem CID114635185
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(OC)cnn1CC
InChIInChI=1S/C11H20N2O2/c1-5-8(3)11(14)10-9(15-4)7-12-13(10)6-2/h7-8,11,14H,5-6H2,1-4H3
InChIKeyHTQZSWYIMYAOTB-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114645711
2-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114644642
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089700
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638597

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol (CID 114635185) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1c(OC)cnn1CC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol?
The InChIKey is HTQZSWYIMYAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-8(3)11(14)10-9(15-4)7-12-13(10)6-2/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 114635185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).