2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol

C17H15BrN2O — CID 107330322

IUPAC2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccccc1Br)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15BrN2O/c18-15-9-5-4-6-13(15)12-17(21)16-10-11-19-20(16)14-7-2-1-3-8-14/h1-11,17,21H,12H2
InChIKeyYOHINGJFMIVLOF-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol

2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol (PubChem CID 107330322) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
PubChem CID107330322
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccccc1Br)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15BrN2O/c18-15-9-5-4-6-13(15)12-17(21)16-10-11-19-20(16)14-7-2-1-3-8-14/h1-11,17,21H,12H2
InChIKeyYOHINGJFMIVLOF-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975016
2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128491

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol (CID 107330322) is 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol is OC(Cc1ccccc1Br)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
The InChIKey is YOHINGJFMIVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-9-5-4-6-13(15)12-17(21)16-10-11-19-20(16)14-7-2-1-3-8-14/h1-11,17,21H,12H2.
What are the key properties of 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol?
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol has a molecular weight of 343.22 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107330322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).