1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol

C14H18N2O — CID 63963688

IUPAC1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccnn2C)cc1C
InChIInChI=1S/C14H18N2O/c1-10-5-6-12(9-11(10)2)14(3,17)13-7-8-15-16(13)4/h5-9,17H,1-4H3
InChIKeyWBMKNRSXYUJGOZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.29
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol

1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 63963688) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID63963688
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccnn2C)cc1C
InChIInChI=1S/C14H18N2O/c1-10-5-6-12(9-11(10)2)14(3,17)13-7-8-15-16(13)4/h5-9,17H,1-4H3
InChIKeyWBMKNRSXYUJGOZ-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 63963688) is 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol is Cc1ccc(C(C)(O)c2ccnn2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is WBMKNRSXYUJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-6-12(9-11(10)2)14(3,17)13-7-8-15-16(13)4/h5-9,17H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63963688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).