2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine

C13H16FN3O — CID 106533557

IUPAC2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
SMILESCCn1cc(Oc2cc(F)cc(CCN)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-17-9-13(8-16-17)18-12-6-10(3-4-15)5-11(14)7-12/h5-9H,2-4,15H2,1H3
InChIKeyAQDDJOMTQCAWJU-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.34
Rot. Bonds5

About 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine

2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine (PubChem CID 106533557) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
PubChem CID106533557
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
SMILESCCn1cc(Oc2cc(F)cc(CCN)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-17-9-13(8-16-17)18-12-6-10(3-4-15)5-11(14)7-12/h5-9H,2-4,15H2,1H3
InChIKeyAQDDJOMTQCAWJU-UHFFFAOYSA-N
XLogP2.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-5-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533561
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine (CID 106533557) is 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine is CCn1cc(Oc2cc(F)cc(CCN)c2)cn1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine?
The InChIKey is AQDDJOMTQCAWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-17-9-13(8-16-17)18-12-6-10(3-4-15)5-11(14)7-12/h5-9H,2-4,15H2,1H3.
What are the key properties of 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine?
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106533557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).