2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol

C11H12FN3O — CID 115032492

IUPAC2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESNc1ccnn1CC(O)c1ccccc1F
InChIInChI=1S/C11H12FN3O/c12-9-4-2-1-3-8(9)10(16)7-15-11(13)5-6-14-15/h1-6,10,16H,7,13H2
InChIKeySHCSQMBEPREPJY-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol

2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 115032492) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
PubChem CID115032492
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESNc1ccnn1CC(O)c1ccccc1F
InChIInChI=1S/C11H12FN3O/c12-9-4-2-1-3-8(9)10(16)7-15-11(13)5-6-14-15/h1-6,10,16H,7,13H2
InChIKeySHCSQMBEPREPJY-UHFFFAOYSA-N
XLogP1.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (CID 115032492) is 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is Nc1ccnn1CC(O)c1ccccc1F.
What is the InChIKey of 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is SHCSQMBEPREPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-4-2-1-3-8(9)10(16)7-15-11(13)5-6-14-15/h1-6,10,16H,7,13H2.
What are the key properties of 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 115032492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).