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

C11H17N5O — CID 66120490

IUPAC1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cc(C)nn2CC)n1
InChIInChI=1S/C11H17N5O/c1-4-8(12)10-13-11(17-15-10)9-6-7(3)14-16(9)5-2/h6,8H,4-5,12H2,1-3H3
InChIKeyWQZHEXMIOIHNCZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.67
Rot. Bonds4

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

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 66120490) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID66120490
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cc(C)nn2CC)n1
InChIInChI=1S/C11H17N5O/c1-4-8(12)10-13-11(17-15-10)9-6-7(3)14-16(9)5-2/h6,8H,4-5,12H2,1-3H3
InChIKeyWQZHEXMIOIHNCZ-UHFFFAOYSA-N
XLogP1.67
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 66120490) is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2cc(C)nn2CC)n1.
What is the InChIKey of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is WQZHEXMIOIHNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8(12)10-13-11(17-15-10)9-6-7(3)14-16(9)5-2/h6,8H,4-5,12H2,1-3H3.
What are the key properties of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.67, 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]propan-1-amine is sourced from PubChem (CID 66120490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).