6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine

C13H17BrN4O — CID 62130571

IUPAC6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine
SMILESCc1nn(-c2ccc(N)c(OC(C)C)n2)c(C)c1Br
InChIInChI=1S/C13H17BrN4O/c1-7(2)19-13-10(15)5-6-11(16-13)18-9(4)12(14)8(3)17-18/h5-7H,15H2,1-4H3
InChIKeyJKMIUOUOBLZEFH-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.02
Rot. Bonds3

About 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 62130571) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine
PubChem CID62130571
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine
SMILESCc1nn(-c2ccc(N)c(OC(C)C)n2)c(C)c1Br
InChIInChI=1S/C13H17BrN4O/c1-7(2)19-13-10(15)5-6-11(16-13)18-9(4)12(14)8(3)17-18/h5-7H,15H2,1-4H3
InChIKeyJKMIUOUOBLZEFH-UHFFFAOYSA-N
XLogP3.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine (CID 62130571) is 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine is Cc1nn(-c2ccc(N)c(OC(C)C)n2)c(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is JKMIUOUOBLZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-7(2)19-13-10(15)5-6-11(16-13)18-9(4)12(14)8(3)17-18/h5-7H,15H2,1-4H3.
What are the key properties of 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine?
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 325.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 62130571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).