1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol

C17H24N2O — CID 115990545

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O/c1-6-16-15(10-19(5)18-16)17(20)9-14-12(3)7-11(2)8-13(14)4/h7-8,10,17,20H,6,9H2,1-5H3
InChIKeyTYNYFOWQHUVBAY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 115990545) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID115990545
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O/c1-6-16-15(10-19(5)18-16)17(20)9-14-12(3)7-11(2)8-13(14)4/h7-8,10,17,20H,6,9H2,1-5H3
InChIKeyTYNYFOWQHUVBAY-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670375
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 107883717
[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884592
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102829408
(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
CID 164719582
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 115990545) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol is CCc1nn(C)cc1C(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is TYNYFOWQHUVBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-16-15(10-19(5)18-16)17(20)9-14-12(3)7-11(2)8-13(14)4/h7-8,10,17,20H,6,9H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 272.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 115990545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).