2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol

C11H20N2O2 — CID 117124476

IUPAC2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
SMILESCOc1c(CCO)c(C)nn1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-8-9(6-7-14)10(15-5)13(12-8)11(2,3)4/h14H,6-7H2,1-5H3
InChIKeyGBVFMKFSIIZREG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds3

About 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol

2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol (PubChem CID 117124476) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
PubChem CID117124476
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
SMILESCOc1c(CCO)c(C)nn1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-8-9(6-7-14)10(15-5)13(12-8)11(2,3)4/h14H,6-7H2,1-5H3
InChIKeyGBVFMKFSIIZREG-UHFFFAOYSA-N
XLogP1.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
CID 55255170
1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
2-(2-methoxy-4,6-dimethylpyrimidin-5-yl)ethanol
CID 115070119
methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate
CID 170887419
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
2-(5-bromo-1,3-dimethylpyrazol-4-yl)ethanol
CID 116817962
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
CID 146378040
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 109482221

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol (CID 117124476) is 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol is COc1c(CCO)c(C)nn1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol?
The InChIKey is GBVFMKFSIIZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-9(6-7-14)10(15-5)13(12-8)11(2,3)4/h14H,6-7H2,1-5H3.
What are the key properties of 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol?
2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol has a molecular weight of 212.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 117124476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).