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

C14H18N2O — CID 82869812

IUPAC1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccn(C)n2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-10-4-5-13(11(2)8-10)14(17)9-12-6-7-16(3)15-12/h4-8,14,17H,9H2,1-3H3
InChIKeyHFJMCUAQWYPNEG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82869812) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82869812
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccn(C)n2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-10-4-5-13(11(2)8-10)14(17)9-12-6-7-16(3)15-12/h4-8,14,17H,9H2,1-3H3
InChIKeyHFJMCUAQWYPNEG-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 105121067
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82869567
[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 82869812) is 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol is Cc1ccc(C(O)Cc2ccn(C)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is HFJMCUAQWYPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-5-13(11(2)8-10)14(17)9-12-6-7-16(3)15-12/h4-8,14,17H,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).