2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol

C14H18N2O — CID 3511640

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8,14,17H,9H2,1-3H3
InChIKeyWRDRQGLYQLIQST-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.54
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol

2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol (PubChem CID 3511640) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol
PubChem CID3511640
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8,14,17H,9H2,1-3H3
InChIKeyWRDRQGLYQLIQST-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol (CID 3511640) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is WRDRQGLYQLIQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8,14,17H,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 3511640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).