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

C18H18N2O — CID 61089136

IUPAC2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-14-7-5-6-8-15(14)11-18(21)16-12-19-20(13-16)17-9-3-2-4-10-17/h2-10,12-13,18,21H,11H2,1H3
InChIKeyZVLGTKFLKMXMLA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.46
Rot. Bonds4

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

2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 61089136) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID61089136
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-14-7-5-6-8-15(14)11-18(21)16-12-19-20(13-16)17-9-3-2-4-10-17/h2-10,12-13,18,21H,11H2,1H3
InChIKeyZVLGTKFLKMXMLA-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150483
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
CID 103028464
2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
CID 83887534
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
ethyl 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoate
CID 79367477
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol (CID 61089136) is 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol is Cc1ccccc1CC(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is ZVLGTKFLKMXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-7-5-6-8-15(14)11-18(21)16-12-19-20(13-16)17-9-3-2-4-10-17/h2-10,12-13,18,21H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol?
2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 278.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61089136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).