1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C14H16BrClN2O — CID 115816458

IUPAC1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H16BrClN2O/c1-3-18-10(7-9(2)17-18)8-13(19)11-5-4-6-12(15)14(11)16/h4-7,13,19H,3,8H2,1-2H3
InChIKeySETQXLUHTNCKKW-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.90
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 115816458) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID115816458
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H16BrClN2O/c1-3-18-10(7-9(2)17-18)8-13(19)11-5-4-6-12(15)14(11)16/h4-7,13,19H,3,8H2,1-2H3
InChIKeySETQXLUHTNCKKW-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-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

1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
1-(3-bromo-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113398309
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002769
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996334
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 115816458) is 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1CC(O)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is SETQXLUHTNCKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-18-10(7-9(2)17-18)8-13(19)11-5-4-6-12(15)14(11)16/h4-7,13,19H,3,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 343.65 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115816458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).