3-(2-fluorophenoxy)-1H-pyrazol-5-amine

C9H8FN3O — CID 83619620

IUPAC3-(2-fluorophenoxy)-1H-pyrazol-5-amine
SMILESNc1cc(Oc2ccccc2F)n[nH]1
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)14-9-5-8(11)12-13-9/h1-5H,(H3,11,12,13)
InChIKeyCJYDTYCVIRYIOL-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.92
Rot. Bonds2

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

3-(2-fluorophenoxy)-1H-pyrazol-5-amine (PubChem CID 83619620) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1H-pyrazol-5-amine
PubChem CID83619620
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-(2-fluorophenoxy)-1H-pyrazol-5-amine
SMILESNc1cc(Oc2ccccc2F)n[nH]1
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)14-9-5-8(11)12-13-9/h1-5H,(H3,11,12,13)
InChIKeyCJYDTYCVIRYIOL-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1H-pyrazol-5-amine?
The IUPAC name of 3-(2-fluorophenoxy)-1H-pyrazol-5-amine (CID 83619620) is 3-(2-fluorophenoxy)-1H-pyrazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenoxy)-1H-pyrazol-5-amine?
The canonical SMILES for 3-(2-fluorophenoxy)-1H-pyrazol-5-amine is Nc1cc(Oc2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenoxy)-1H-pyrazol-5-amine?
The InChIKey is CJYDTYCVIRYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)14-9-5-8(11)12-13-9/h1-5H,(H3,11,12,13).
What are the key properties of 3-(2-fluorophenoxy)-1H-pyrazol-5-amine?
3-(2-fluorophenoxy)-1H-pyrazol-5-amine has a molecular weight of 193.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1H-pyrazol-5-amine is sourced from PubChem (CID 83619620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).