3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one

C12H16N4O — CID 146640639

IUPAC3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)Cn1cc(-c2cn[nH]c2)cc(N)c1=O
InChIInChI=1S/C12H16N4O/c1-8(2)6-16-7-9(3-11(13)12(16)17)10-4-14-15-5-10/h3-5,7-8H,6,13H2,1-2H3,(H,14,15)
InChIKeyZEUXWQJHMYXJTL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.48
Rot. Bonds3

About 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one

3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 146640639) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID146640639
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)Cn1cc(-c2cn[nH]c2)cc(N)c1=O
InChIInChI=1S/C12H16N4O/c1-8(2)6-16-7-9(3-11(13)12(16)17)10-4-14-15-5-10/h3-5,7-8H,6,13H2,1-2H3,(H,14,15)
InChIKeyZEUXWQJHMYXJTL-UHFFFAOYSA-N
XLogP1.48
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one (CID 146640639) is 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one is CC(C)Cn1cc(-c2cn[nH]c2)cc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is ZEUXWQJHMYXJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)6-16-7-9(3-11(13)12(16)17)10-4-14-15-5-10/h3-5,7-8H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one?
3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpropyl)-5-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 146640639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).