1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol

C18H18N2O — CID 107329790

IUPAC1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-15(11-9-14)18(2,21)17-12-13-19-20(17)16-6-4-3-5-7-16/h3-13,21H,1-2H3
InChIKeyBPYXFLTYUYCLJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol

1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol (PubChem CID 107329790) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
PubChem CID107329790
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-15(11-9-14)18(2,21)17-12-13-19-20(17)16-6-4-3-5-7-16/h3-13,21H,1-2H3
InChIKeyBPYXFLTYUYCLJV-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 107329817
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 107331523
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63963688

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol (CID 107329790) is 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol is Cc1ccc(C(C)(O)c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The InChIKey is BPYXFLTYUYCLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-8-10-15(11-9-14)18(2,21)17-12-13-19-20(17)16-6-4-3-5-7-16/h3-13,21H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol has a molecular weight of 278.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107329790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).