5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one

C14H20N4O — CID 79356074

IUPAC5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCCC(C)n1ccc(Cn2cc(N)c(C)cc2=O)n1
InChIInChI=1S/C14H20N4O/c1-4-11(3)18-6-5-12(16-18)8-17-9-13(15)10(2)7-14(17)19/h5-7,9,11H,4,8,15H2,1-3H3
InChIKeyFPAQPUSSRMKUNW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds4

About 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one

5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one (PubChem CID 79356074) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
PubChem CID79356074
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCCC(C)n1ccc(Cn2cc(N)c(C)cc2=O)n1
InChIInChI=1S/C14H20N4O/c1-4-11(3)18-6-5-12(16-18)8-17-9-13(15)10(2)7-14(17)19/h5-7,9,11H,4,8,15H2,1-3H3
InChIKeyFPAQPUSSRMKUNW-UHFFFAOYSA-N
XLogP1.95
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one (CID 79356074) is 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one is CCC(C)n1ccc(Cn2cc(N)c(C)cc2=O)n1.
What is the InChIKey of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is FPAQPUSSRMKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-11(3)18-6-5-12(16-18)8-17-9-13(15)10(2)7-14(17)19/h5-7,9,11H,4,8,15H2,1-3H3.
What are the key properties of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one?
5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 79356074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).