4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C14H26FN3O — CID 103392423

IUPAC4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1cc(CC(F)(CCCN)COC)n(CC)n1
InChIInChI=1S/C14H26FN3O/c1-4-12-9-13(18(5-2)17-12)10-14(15,11-19-3)7-6-8-16/h9H,4-8,10-11,16H2,1-3H3
InChIKeyGYDQYJPYTJSABE-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.10
Rot. Bonds9

About 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392423) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392423
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1cc(CC(F)(CCCN)COC)n(CC)n1
InChIInChI=1S/C14H26FN3O/c1-4-12-9-13(18(5-2)17-12)10-14(15,11-19-3)7-6-8-16/h9H,4-8,10-11,16H2,1-3H3
InChIKeyGYDQYJPYTJSABE-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392423) is 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCc1cc(CC(F)(CCCN)COC)n(CC)n1.
What is the InChIKey of 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is GYDQYJPYTJSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-4-12-9-13(18(5-2)17-12)10-14(15,11-19-3)7-6-8-16/h9H,4-8,10-11,16H2,1-3H3.
What are the key properties of 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).