4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C13H24FN3O — CID 103392539

IUPAC4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1cc(CC(F)(CCCN)COC)n(C)n1
InChIInChI=1S/C13H24FN3O/c1-4-11-8-12(17(2)16-11)9-13(14,10-18-3)6-5-7-15/h8H,4-7,9-10,15H2,1-3H3
InChIKeyZJRSVFWNJMTRTM-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.62
Rot. Bonds8

About 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392539) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392539
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1cc(CC(F)(CCCN)COC)n(C)n1
InChIInChI=1S/C13H24FN3O/c1-4-11-8-12(17(2)16-11)9-13(14,10-18-3)6-5-7-15/h8H,4-7,9-10,15H2,1-3H3
InChIKeyZJRSVFWNJMTRTM-UHFFFAOYSA-N
XLogP1.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392539) is 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCc1cc(CC(F)(CCCN)COC)n(C)n1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is ZJRSVFWNJMTRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-4-11-8-12(17(2)16-11)9-13(14,10-18-3)6-5-7-15/h8H,4-7,9-10,15H2,1-3H3.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).