1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol

C11H10BrClN2O — CID 84590338

IUPAC1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
SMILESOC(Cn1cc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C11H10BrClN2O/c12-10-4-2-1-3-9(10)11(16)7-15-6-8(13)5-14-15/h1-6,11,16H,7H2
InChIKeyZWZIKDASOLEAFM-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol

1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol (PubChem CID 84590338) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
PubChem CID84590338
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
SMILESOC(Cn1cc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C11H10BrClN2O/c12-10-4-2-1-3-9(10)11(16)7-15-6-8(13)5-14-15/h1-6,11,16H,7H2
InChIKeyZWZIKDASOLEAFM-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol (CID 84590338) is 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol is OC(Cn1cc(Cl)cn1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The InChIKey is ZWZIKDASOLEAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-10-4-2-1-3-9(10)11(16)7-15-6-8(13)5-14-15/h1-6,11,16H,7H2.
What are the key properties of 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol has a molecular weight of 301.57 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol is sourced from PubChem (CID 84590338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).