(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol

C11H10BrClN2O — CID 63372280

IUPAC(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2cc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H10BrClN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1
InChIKeyXEVURJMYQIXZQM-SSDOTTSWSA-N
MW301.57 g/mol
LogP3.34
Rot. Bonds2

About (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol

(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol (PubChem CID 63372280) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol
PubChem CID63372280
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2cc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H10BrClN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1
InChIKeyXEVURJMYQIXZQM-SSDOTTSWSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol (CID 63372280) is (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol is C[C@@H](O)c1ccc(-n2cc(Br)cn2)c(Cl)c1.
What is the InChIKey of (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol?
The InChIKey is XEVURJMYQIXZQM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-7(16)8-2-3-11(10(13)4-8)15-6-9(12)5-14-15/h2-7,16H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol?
(1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol has a molecular weight of 301.57 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]ethanol is sourced from PubChem (CID 63372280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).