5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one

C12H15BrN4O — CID 62130908

IUPAC5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nn(CCn2cc(N)ccc2=O)c(C)c1Br
InChIInChI=1S/C12H15BrN4O/c1-8-12(13)9(2)17(15-8)6-5-16-7-10(14)3-4-11(16)18/h3-4,7H,5-6,14H2,1-2H3
InChIKeyLRAJIMWGJSBWIX-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.71
Rot. Bonds3

About 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one (PubChem CID 62130908) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one
PubChem CID62130908
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nn(CCn2cc(N)ccc2=O)c(C)c1Br
InChIInChI=1S/C12H15BrN4O/c1-8-12(13)9(2)17(15-8)6-5-16-7-10(14)3-4-11(16)18/h3-4,7H,5-6,14H2,1-2H3
InChIKeyLRAJIMWGJSBWIX-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one (CID 62130908) is 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one is Cc1nn(CCn2cc(N)ccc2=O)c(C)c1Br.
What is the InChIKey of 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is LRAJIMWGJSBWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8-12(13)9(2)17(15-8)6-5-16-7-10(14)3-4-11(16)18/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 311.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 62130908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).