2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol

C11H12BrN3O — CID 43348918

IUPAC2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(Br)cc2)nn1CCO
InChIInChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyILSAXBMAGDRDGN-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.89
Rot. Bonds3

About 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol (PubChem CID 43348918) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol
PubChem CID43348918
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(Br)cc2)nn1CCO
InChIInChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyILSAXBMAGDRDGN-UHFFFAOYSA-N
XLogP1.89
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol (CID 43348918) is 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol is Nc1cc(-c2ccc(Br)cc2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol?
The InChIKey is ILSAXBMAGDRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2.
What are the key properties of 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol has a molecular weight of 282.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).