2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol

C11H10BrFN2O — CID 115052210

IUPAC2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(Cn1cc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C11H10BrFN2O/c12-9-5-14-15(6-9)7-11(16)8-2-1-3-10(13)4-8/h1-6,11,16H,7H2
InChIKeyMYFYXSCGIAWYSS-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol

2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 115052210) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol
PubChem CID115052210
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol
SMILESOC(Cn1cc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C11H10BrFN2O/c12-9-5-14-15(6-9)7-11(16)8-2-1-3-10(13)4-8/h1-6,11,16H,7H2
InChIKeyMYFYXSCGIAWYSS-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)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

2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
CID 115051707
(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 97327175
(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 125041793
2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 109411732
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
CID 115031261
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
2-(4-cyclobutyltriazol-1-yl)-1-(3-fluorophenyl)ethanol
CID 138052176
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 95751068
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 39854977
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol (CID 115052210) is 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol is OC(Cn1cc(Br)cn1)c1cccc(F)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is MYFYXSCGIAWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-9-5-14-15(6-9)7-11(16)8-2-1-3-10(13)4-8/h1-6,11,16H,7H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol?
2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 285.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 115052210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).