2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol

C17H24N2O2 — CID 117124112

IUPAC2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
SMILESCOc1c(CCO)c(C(C)(C)C)nn1-c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-13(9-7-12)19-16(21-5)14(10-11-20)15(18-19)17(2,3)4/h6-9,20H,10-11H2,1-5H3
InChIKeyWZVYEPGUGAVWEO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.02
Rot. Bonds4

About 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol

2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol (PubChem CID 117124112) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
PubChem CID117124112
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
SMILESCOc1c(CCO)c(C(C)(C)C)nn1-c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-13(9-7-12)19-16(21-5)14(10-11-20)15(18-19)17(2,3)4/h6-9,20H,10-11H2,1-5H3
InChIKeyWZVYEPGUGAVWEO-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.02
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
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 117124151
3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
CID 117123889
[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 117123555
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
3-tert-butyl-1-(3,4-diethyl-2,5,6-trimethylphenyl)-4-ethyl-5-methoxypyrazole
CID 91180976
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
5-(2-hydroxyethyl)-2-(4-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999531
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818979

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol (CID 117124112) is 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol is COc1c(CCO)c(C(C)(C)C)nn1-c1ccc(C)cc1.
What is the InChIKey of 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol?
The InChIKey is WZVYEPGUGAVWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-8-13(9-7-12)19-16(21-5)14(10-11-20)15(18-19)17(2,3)4/h6-9,20H,10-11H2,1-5H3.
What are the key properties of 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol?
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 117124112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).