2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol

C11H11BrFN3O — CID 114020305

IUPAC2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2cccc(Br)c2F)nn1CCO
InChIInChI=1S/C11H11BrFN3O/c12-8-3-1-2-7(11(8)13)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2
InChIKeyKFQCGGFHJWNEQL-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.03
Rot. Bonds3

About 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol (PubChem CID 114020305) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
PubChem CID114020305
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2cccc(Br)c2F)nn1CCO
InChIInChI=1S/C11H11BrFN3O/c12-8-3-1-2-7(11(8)13)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2
InChIKeyKFQCGGFHJWNEQL-UHFFFAOYSA-N
XLogP2.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol (CID 114020305) is 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol is Nc1cc(-c2cccc(Br)c2F)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol?
The InChIKey is KFQCGGFHJWNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-8-3-1-2-7(11(8)13)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2.
What are the key properties of 2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol has a molecular weight of 300.13 g/mol, XLogP of 2.03, 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-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 114020305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).