1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine

C12H19N5O — CID 66120688

IUPAC1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCCn1nc(C)cc1-c1nc(C(N)C(C)C)no1
InChIInChI=1S/C12H19N5O/c1-5-17-9(6-8(4)15-17)12-14-11(16-18-12)10(13)7(2)3/h6-7,10H,5,13H2,1-4H3
InChIKeyIZOANIYJDQAZPV-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.92
Rot. Bonds4

About 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (PubChem CID 66120688) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
PubChem CID66120688
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCCn1nc(C)cc1-c1nc(C(N)C(C)C)no1
InChIInChI=1S/C12H19N5O/c1-5-17-9(6-8(4)15-17)12-14-11(16-18-12)10(13)7(2)3/h6-7,10H,5,13H2,1-4H3
InChIKeyIZOANIYJDQAZPV-UHFFFAOYSA-N
XLogP1.92
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 66120489
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120490
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633387
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine
CID 66119880
2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879994
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63743359
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (CID 66120688) is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is CCn1nc(C)cc1-c1nc(C(N)C(C)C)no1.
What is the InChIKey of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is IZOANIYJDQAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-17-9(6-8(4)15-17)12-14-11(16-18-12)10(13)7(2)3/h6-7,10H,5,13H2,1-4H3.
What are the key properties of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 66120688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).