2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol

C14H26N2O3 — CID 114645711

IUPAC2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1c(OC)cnn1CC)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-7-16-11(10(18-6)9-15-16)12(17)13(19-8-2)14(3,4)5/h9,12-13,17H,7-8H2,1-6H3
InChIKeyHURYZDRPYIYDDT-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.40
Rot. Bonds6

About 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol (PubChem CID 114645711) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
PubChem CID114645711
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1c(OC)cnn1CC)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-7-16-11(10(18-6)9-15-16)12(17)13(19-8-2)14(3,4)5/h9,12-13,17H,7-8H2,1-6H3
InChIKeyHURYZDRPYIYDDT-UHFFFAOYSA-N
XLogP2.40
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
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-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
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-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
CID 114661034
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol (CID 114645711) is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol is CCOC(C(O)c1c(OC)cnn1CC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The InChIKey is HURYZDRPYIYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-16-11(10(18-6)9-15-16)12(17)13(19-8-2)14(3,4)5/h9,12-13,17H,7-8H2,1-6H3.
What are the key properties of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol?
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114645711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).