1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine

C11H12FN3O — CID 50999569

IUPAC1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3O/c12-9-1-3-11(4-2-9)16-6-5-15-8-10(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyZLRATIRFEBUQDQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine

1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine (PubChem CID 50999569) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
PubChem CID50999569
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2ccc(F)cc2)c1
InChIInChI=1S/C11H12FN3O/c12-9-1-3-11(4-2-9)16-6-5-15-8-10(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyZLRATIRFEBUQDQ-UHFFFAOYSA-N
XLogP1.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine (CID 50999569) is 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine is Nc1cnn(CCOc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine?
The InChIKey is ZLRATIRFEBUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-1-3-11(4-2-9)16-6-5-15-8-10(13)7-14-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine?
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 50999569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).