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

C11H10BrFN2O — CID 125041793

IUPAC(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESO[C@H](Cn1cc(Br)cn1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2/t11-/m1/s1
InChIKeyMEQRDXJGWSQRGU-LLVKDONJSA-N
MW285.12 g/mol
LogP2.52
Rot. Bonds3

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

(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 125041793) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
PubChem CID125041793
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESO[C@H](Cn1cc(Br)cn1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2/t11-/m1/s1
InChIKeyMEQRDXJGWSQRGU-LLVKDONJSA-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

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Related Compounds

2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 109411732
2-(4-bromopyrazol-1-yl)-1-(3-fluorophenyl)ethanol
CID 115052210
1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 84590338
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
CID 115051707
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine
CID 115053208
2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 115032492
2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 107143258
2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
CID 115039461

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (CID 125041793) is (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is O[C@H](Cn1cc(Br)cn1)c1ccccc1F.
What is the InChIKey of (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is MEQRDXJGWSQRGU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2/t11-/m1/s1.
What are the key properties of (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
(1S)-2-(4-bromopyrazol-1-yl)-1-(2-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 (1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 125041793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).