5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine

C11H11F2N3O — CID 82084247

IUPAC5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2ccc(F)c(F)c2)[nH]n1
InChIInChI=1S/C11H11F2N3O/c12-9-2-1-8(6-10(9)13)17-4-3-7-5-11(14)16-15-7/h1-2,5-6H,3-4H2,(H3,14,15,16)
InChIKeyAKILKBUJRBSOTN-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.89
Rot. Bonds4

About 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine

5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine (PubChem CID 82084247) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine
PubChem CID82084247
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2ccc(F)c(F)c2)[nH]n1
InChIInChI=1S/C11H11F2N3O/c12-9-2-1-8(6-10(9)13)17-4-3-7-5-11(14)16-15-7/h1-2,5-6H,3-4H2,(H3,14,15,16)
InChIKeyAKILKBUJRBSOTN-UHFFFAOYSA-N
XLogP1.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-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 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine (CID 82084247) is 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine is Nc1cc(CCOc2ccc(F)c(F)c2)[nH]n1.
What is the InChIKey of 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine?
The InChIKey is AKILKBUJRBSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-9-2-1-8(6-10(9)13)17-4-3-7-5-11(14)16-15-7/h1-2,5-6H,3-4H2,(H3,14,15,16).
What are the key properties of 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine?
5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine has a molecular weight of 239.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82084247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).