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

C14H25BrFN3O — CID 103392486

IUPAC4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1nn(CC)c(CC(F)(CCCN)COC)c1Br
InChIInChI=1S/C14H25BrFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3
InChIKeyGLIICVPQIBSFFE-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.86
Rot. Bonds9

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

4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392486) has the molecular formula C14H25BrFN3O and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392486
Molecular FormulaC14H25BrFN3O
Molecular Weight350.28 g/mol
Exact Mass349.12
IUPAC Name4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1nn(CC)c(CC(F)(CCCN)COC)c1Br
InChIInChI=1S/C14H25BrFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3
InChIKeyGLIICVPQIBSFFE-UHFFFAOYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392486) is 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCc1nn(CC)c(CC(F)(CCCN)COC)c1Br.
What is the InChIKey of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is GLIICVPQIBSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3.
What are the key properties of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).