(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol

C11H10BrClN2O — CID 97327175

IUPAC(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
SMILESO[C@@H](Cn1cc(Cl)cn1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrClN2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6,11,16H,7H2/t11-/m0/s1
InChIKeyBBYRCAANHGNEEC-NSHDSACASA-N
MW301.57 g/mol
LogP3.03
Rot. Bonds3

About (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol

(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol (PubChem CID 97327175) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
PubChem CID97327175
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
SMILESO[C@@H](Cn1cc(Cl)cn1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrClN2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6,11,16H,7H2/t11-/m0/s1
InChIKeyBBYRCAANHGNEEC-NSHDSACASA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol (CID 97327175) is (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol is O[C@@H](Cn1cc(Cl)cn1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
The InChIKey is BBYRCAANHGNEEC-NSHDSACASA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-9-3-1-2-8(4-9)11(16)7-15-6-10(13)5-14-15/h1-6,11,16H,7H2/t11-/m0/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol?
(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol has a molecular weight of 301.57 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol is sourced from PubChem (CID 97327175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).