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

C14H17ClN2O — CID 106866587

IUPAC2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-9-4-5-11(13(15)6-9)7-14(18)12-8-17(3)16-10(12)2/h4-6,8,14,18H,7H2,1-3H3
InChIKeyGNZHISVVYMIUNM-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.97
Rot. Bonds3

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

2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 106866587) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID106866587
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-9-4-5-11(13(15)6-9)7-14(18)12-8-17(3)16-10(12)2/h4-6,8,14,18H,7H2,1-3H3
InChIKeyGNZHISVVYMIUNM-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 103039152
2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 112653181
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
[2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 106868302
2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804459
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol (CID 106866587) is 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol is Cc1ccc(CC(O)c2cn(C)nc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is GNZHISVVYMIUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-4-5-11(13(15)6-9)7-14(18)12-8-17(3)16-10(12)2/h4-6,8,14,18H,7H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 264.76 g/mol, XLogP of 2.97, 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-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 106866587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).