4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine

C11H20FN3O — CID 103392590

IUPAC4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1cc(C(F)(CCCN)COC)cn1
InChIInChI=1S/C11H20FN3O/c1-3-15-8-10(7-14-15)11(12,9-16-2)5-4-6-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyKENXGOVSEFHVAE-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.45
Rot. Bonds7

About 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine

4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392590) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392590
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1cc(C(F)(CCCN)COC)cn1
InChIInChI=1S/C11H20FN3O/c1-3-15-8-10(7-14-15)11(12,9-16-2)5-4-6-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyKENXGOVSEFHVAE-UHFFFAOYSA-N
XLogP1.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392590) is 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine is CCn1cc(C(F)(CCCN)COC)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is KENXGOVSEFHVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c1-3-15-8-10(7-14-15)11(12,9-16-2)5-4-6-13/h7-8H,3-6,9,13H2,1-2H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 229.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).