2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C14H16Cl2N2O — CID 105087991

IUPAC2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-3-18-13(6-9(2)17-18)14(19)8-10-4-5-11(15)12(16)7-10/h4-7,14,19H,3,8H2,1-2H3
InChIKeyOWUALVJFSAZEMZ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.79
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 105087991) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID105087991
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-3-18-13(6-9(2)17-18)14(19)8-10-4-5-11(15)12(16)7-10/h4-7,14,19H,3,8H2,1-2H3
InChIKeyOWUALVJFSAZEMZ-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 105087991) is 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is OWUALVJFSAZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-3-18-13(6-9(2)17-18)14(19)8-10-4-5-11(15)12(16)7-10/h4-7,14,19H,3,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 299.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).