4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine

C10H18FN3O — CID 103392478

IUPAC4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1cnn(C)c1
InChIInChI=1S/C10H18FN3O/c1-14-7-9(6-13-14)10(11,8-15-2)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyWONWJZDFKDGYIK-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.97
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine (PubChem CID 103392478) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine
PubChem CID103392478
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1cnn(C)c1
InChIInChI=1S/C10H18FN3O/c1-14-7-9(6-13-14)10(11,8-15-2)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3
InChIKeyWONWJZDFKDGYIK-UHFFFAOYSA-N
XLogP0.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine (CID 103392478) is 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine is COCC(F)(CCCN)c1cnn(C)c1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine?
The InChIKey is WONWJZDFKDGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-14-7-9(6-13-14)10(11,8-15-2)4-3-5-12/h6-7H,3-5,8,12H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine has a molecular weight of 215.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(1-methylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 103392478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).