5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one

C12H15BrN4O — CID 80501801

IUPAC5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCCn1nc(C)cc1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C12H15BrN4O/c1-3-17-10(4-8(2)15-17)7-16-6-9(14)5-11(13)12(16)18/h4-6H,3,7,14H2,1-2H3
InChIKeyHNYIWWGGYKJQNM-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one

5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one (PubChem CID 80501801) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
PubChem CID80501801
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCCn1nc(C)cc1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C12H15BrN4O/c1-3-17-10(4-8(2)15-17)7-16-6-9(14)5-11(13)12(16)18/h4-6H,3,7,14H2,1-2H3
InChIKeyHNYIWWGGYKJQNM-UHFFFAOYSA-N
XLogP1.77
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one (CID 80501801) is 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one is CCn1nc(C)cc1Cn1cc(N)cc(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one?
The InChIKey is HNYIWWGGYKJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-3-17-10(4-8(2)15-17)7-16-6-9(14)5-11(13)12(16)18/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one has a molecular weight of 311.18 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 80501801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).