2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C16H22N2O — CID 105079596

IUPAC2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2O/c1-5-18-15(9-13(4)17-18)16(19)10-14-7-11(2)6-12(3)8-14/h6-9,16,19H,5,10H2,1-4H3
InChIKeyTVWWOEQMGUINON-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.10
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 105079596) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID105079596
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2O/c1-5-18-15(9-13(4)17-18)16(19)10-14-7-11(2)6-12(3)8-14/h6-9,16,19H,5,10H2,1-4H3
InChIKeyTVWWOEQMGUINON-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
CID 67376588
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105111437
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 105079596) is 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1C(O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is TVWWOEQMGUINON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-18-15(9-13(4)17-18)16(19)10-14-7-11(2)6-12(3)8-14/h6-9,16,19H,5,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105079596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).