1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol

C15H17BrCl2N2O — CID 115815329

IUPAC1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(Br)c(Cl)c2)c1Cl
InChIInChI=1S/C15H17BrCl2N2O/c1-3-12-15(18)13(20(4-2)19-12)8-14(21)9-5-6-10(16)11(17)7-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyXJSTVYWAZVIZNF-UHFFFAOYSA-N
MW392.12 g/mol
LogP4.81
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 115815329) has the molecular formula C15H17BrCl2N2O and a molecular weight of 392.12 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
PubChem CID115815329
Molecular FormulaC15H17BrCl2N2O
Molecular Weight392.12 g/mol
Exact Mass389.99
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(Br)c(Cl)c2)c1Cl
InChIInChI=1S/C15H17BrCl2N2O/c1-3-12-15(18)13(20(4-2)19-12)8-14(21)9-5-6-10(16)11(17)7-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyXJSTVYWAZVIZNF-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216924
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572643
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091797
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol (CID 115815329) is 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol is CCc1nn(CC)c(CC(O)c2ccc(Br)c(Cl)c2)c1Cl.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is XJSTVYWAZVIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrCl2N2O/c1-3-12-15(18)13(20(4-2)19-12)8-14(21)9-5-6-10(16)11(17)7-9/h5-7,14,21H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 392.12 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115815329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).