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

C13H17BrN4O — CID 62130909

IUPAC5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
SMILESCc1nn(CCCn2cc(N)ccc2=O)c(C)c1Br
InChIInChI=1S/C13H17BrN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyUZZJHOKWYTUCHJ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.10
Rot. Bonds4

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

5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one (PubChem CID 62130909) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
PubChem CID62130909
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
SMILESCc1nn(CCCn2cc(N)ccc2=O)c(C)c1Br
InChIInChI=1S/C13H17BrN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyUZZJHOKWYTUCHJ-UHFFFAOYSA-N
XLogP2.10
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one (CID 62130909) is 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one is Cc1nn(CCCn2cc(N)ccc2=O)c(C)c1Br.
What is the InChIKey of 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
The InChIKey is UZZJHOKWYTUCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9-13(14)10(2)18(16-9)7-3-6-17-8-11(15)4-5-12(17)19/h4-5,8H,3,6-7,15H2,1-2H3.
What are the key properties of 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 62130909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).