1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol

C15H20N2O — CID 83091670

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N2O/c1-4-12-5-7-13(8-6-12)9-15(18)14-10-17(3)16-11(14)2/h5-8,10,15,18H,4,9H2,1-3H3
InChIKeyCJABRMANQCIMKK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol

1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 83091670) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
PubChem CID83091670
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N2O/c1-4-12-5-7-13(8-6-12)9-15(18)14-10-17(3)16-11(14)2/h5-8,10,15,18H,4,9H2,1-3H3
InChIKeyCJABRMANQCIMKK-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol (CID 83091670) is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cn(C)nc2C)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is CJABRMANQCIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-12-5-7-13(8-6-12)9-15(18)14-10-17(3)16-11(14)2/h5-8,10,15,18H,4,9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol?
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 83091670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).