3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

C11H14N4O — CID 146640723

IUPAC3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCn1cc(-c2cnn(C)c2)cc(N)c1=O
InChIInChI=1S/C11H14N4O/c1-3-15-7-8(4-10(12)11(15)16)9-5-13-14(2)6-9/h4-7H,3,12H2,1-2H3
InChIKeyTXMUYWRPSTXVOM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds2

About 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 146640723) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID146640723
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCn1cc(-c2cnn(C)c2)cc(N)c1=O
InChIInChI=1S/C11H14N4O/c1-3-15-7-8(4-10(12)11(15)16)9-5-13-14(2)6-9/h4-7H,3,12H2,1-2H3
InChIKeyTXMUYWRPSTXVOM-UHFFFAOYSA-N
XLogP0.85
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 146640723) is 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is CCn1cc(-c2cnn(C)c2)cc(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is TXMUYWRPSTXVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-15-7-8(4-10(12)11(15)16)9-5-13-14(2)6-9/h4-7H,3,12H2,1-2H3.
What are the key properties of 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 146640723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).