1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine

C12H19N5O — CID 103931480

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2cn(C)nc2C)no1
InChIInChI=1S/C12H19N5O/c1-8(11-7-17(4)15-9(11)2)13-6-5-12-14-10(3)18-16-12/h7-8,13H,5-6H2,1-4H3
InChIKeyAAZIKLQLJLNQMB-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.31
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 103931480) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID103931480
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2cn(C)nc2C)no1
InChIInChI=1S/C12H19N5O/c1-8(11-7-17(4)15-9(11)2)13-6-5-12-14-10(3)18-16-12/h7-8,13H,5-6H2,1-4H3
InChIKeyAAZIKLQLJLNQMB-UHFFFAOYSA-N
XLogP1.31
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 103931480) is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is Cc1nc(CCNC(C)c2cn(C)nc2C)no1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is AAZIKLQLJLNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(11-7-17(4)15-9(11)2)13-6-5-12-14-10(3)18-16-12/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103931480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).