5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine

C11H12FN3O — CID 82079975

IUPAC5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2cccc(F)c2)[nH]n1
InChIInChI=1S/C11H12FN3O/c12-8-2-1-3-10(6-8)16-5-4-9-7-11(13)15-14-9/h1-3,6-7H,4-5H2,(H3,13,14,15)
InChIKeyZDSFKZMALDBHGD-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.75
Rot. Bonds4

About 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine

5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine (PubChem CID 82079975) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine
PubChem CID82079975
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2cccc(F)c2)[nH]n1
InChIInChI=1S/C11H12FN3O/c12-8-2-1-3-10(6-8)16-5-4-9-7-11(13)15-14-9/h1-3,6-7H,4-5H2,(H3,13,14,15)
InChIKeyZDSFKZMALDBHGD-UHFFFAOYSA-N
XLogP1.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine (CID 82079975) is 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine is Nc1cc(CCOc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The InChIKey is ZDSFKZMALDBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-2-1-3-10(6-8)16-5-4-9-7-11(13)15-14-9/h1-3,6-7H,4-5H2,(H3,13,14,15).
What are the key properties of 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine?
5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine has a molecular weight of 221.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).