2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol

C13H15ClN2O — CID 106866193

IUPAC2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-9-3-4-10(12(14)5-9)6-13(17)11-7-15-16(2)8-11/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyFVQGFCTUBJKFLU-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol

2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 106866193) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID106866193
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-9-3-4-10(12(14)5-9)6-13(17)11-7-15-16(2)8-11/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyFVQGFCTUBJKFLU-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 106866587
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
2-(2-chloro-4-methylphenyl)-1-(5-chloro-1,3-thiazol-2-yl)ethanol
CID 107124945
2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 65478279
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 106868341

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 106866193) is 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol is Cc1ccc(CC(O)c2cnn(C)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is FVQGFCTUBJKFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-3-4-10(12(14)5-9)6-13(17)11-7-15-16(2)8-11/h3-5,7-8,13,17H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 250.73 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 106866193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).