(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol

C11H10BrFN2O — CID 63372226

IUPAC(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H10BrFN2O/c1-7(16)10-4-9(13)2-3-11(10)15-6-8(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1
InChIKeyQFTLETFNXQYNKP-SSDOTTSWSA-N
MW285.12 g/mol
LogP2.83
Rot. Bonds2

About (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol

(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol (PubChem CID 63372226) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
PubChem CID63372226
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H10BrFN2O/c1-7(16)10-4-9(13)2-3-11(10)15-6-8(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1
InChIKeyQFTLETFNXQYNKP-SSDOTTSWSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol (CID 63372226) is (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1cc(Br)cn1.
What is the InChIKey of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is QFTLETFNXQYNKP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7(16)10-4-9(13)2-3-11(10)15-6-8(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol?
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 285.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 63372226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).