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

C14H16Cl2N2O — CID 112670375

IUPAC2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-3-13-10(8-18(2)17-13)14(19)7-9-4-5-11(15)12(16)6-9/h4-6,8,14,19H,3,7H2,1-2H3
InChIKeyMDRRSDUKVNKKFM-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.57
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol (PubChem CID 112670375) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
PubChem CID112670375
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-3-13-10(8-18(2)17-13)14(19)7-9-4-5-11(15)12(16)6-9/h4-6,8,14,19H,3,7H2,1-2H3
InChIKeyMDRRSDUKVNKKFM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 107883717
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,4-dichlorophenyl)ethanol
CID 83090725
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 103039152
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115990545
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102812420
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-chlorophenyl)ethanol
CID 83091470

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol (CID 112670375) is 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol is CCc1nn(C)cc1C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The InChIKey is MDRRSDUKVNKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-3-13-10(8-18(2)17-13)14(19)7-9-4-5-11(15)12(16)6-9/h4-6,8,14,19H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol has a molecular weight of 299.20 g/mol, XLogP of 3.57, 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-(3-ethyl-1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 112670375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).