1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine

C11H12FN3O — CID 90095635

IUPAC1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine
SMILESCCOc1c(F)cccc1-n1ccc(N)n1
InChIInChI=1S/C11H12FN3O/c1-2-16-11-8(12)4-3-5-9(11)15-7-6-10(13)14-15/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyFNJBULZFHWKYLA-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine

1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine (PubChem CID 90095635) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine
PubChem CID90095635
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine
SMILESCCOc1c(F)cccc1-n1ccc(N)n1
InChIInChI=1S/C11H12FN3O/c1-2-16-11-8(12)4-3-5-9(11)15-7-6-10(13)14-15/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyFNJBULZFHWKYLA-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine (CID 90095635) is 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine is CCOc1c(F)cccc1-n1ccc(N)n1.
What is the InChIKey of 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine?
The InChIKey is FNJBULZFHWKYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-16-11-8(12)4-3-5-9(11)15-7-6-10(13)14-15/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine?
1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine has a molecular weight of 221.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 90095635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).