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

C18H18N2O — CID 107330309

IUPAC2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCc1cccc(CC(O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-14-6-5-7-15(12-14)13-18(21)17-10-11-19-20(17)16-8-3-2-4-9-16/h2-12,18,21H,13H2,1H3
InChIKeySUKDWYHHUMOZNT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.46
Rot. Bonds4

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

2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol (PubChem CID 107330309) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
PubChem CID107330309
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESCc1cccc(CC(O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-14-6-5-7-15(12-14)13-18(21)17-10-11-19-20(17)16-8-3-2-4-9-16/h2-12,18,21H,13H2,1H3
InChIKeySUKDWYHHUMOZNT-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

Analyze 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330322
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol
CID 134085813
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol (CID 107330309) is 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol is Cc1cccc(CC(O)c2ccnn2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The InChIKey is SUKDWYHHUMOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-6-5-7-15(12-14)13-18(21)17-10-11-19-20(17)16-8-3-2-4-9-16/h2-12,18,21H,13H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-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-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107330309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).