4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C13H24FN3O — CID 103392483

IUPAC4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1nc(C)cc1CC(F)(CCCN)COC
InChIInChI=1S/C13H24FN3O/c1-4-17-12(8-11(2)16-17)9-13(14,10-18-3)6-5-7-15/h8H,4-7,9-10,15H2,1-3H3
InChIKeyZULSXFGVJDDKGF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.85
Rot. Bonds8

About 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392483) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392483
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1nc(C)cc1CC(F)(CCCN)COC
InChIInChI=1S/C13H24FN3O/c1-4-17-12(8-11(2)16-17)9-13(14,10-18-3)6-5-7-15/h8H,4-7,9-10,15H2,1-3H3
InChIKeyZULSXFGVJDDKGF-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392483) is 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCn1nc(C)cc1CC(F)(CCCN)COC.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is ZULSXFGVJDDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-4-17-12(8-11(2)16-17)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-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).