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

C11H17N5O — CID 66120174

IUPAC3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCc1cc(-c2nc(CCCN)no2)n(C)n1
InChIInChI=1S/C11H17N5O/c1-3-8-7-9(16(2)14-8)11-13-10(15-17-11)5-4-6-12/h7H,3-6,12H2,1-2H3
InChIKeyGGQAAMBQMZRLQU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.92
Rot. Bonds5

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

3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 66120174) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID66120174
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCc1cc(-c2nc(CCCN)no2)n(C)n1
InChIInChI=1S/C11H17N5O/c1-3-8-7-9(16(2)14-8)11-13-10(15-17-11)5-4-6-12/h7H,3-6,12H2,1-2H3
InChIKeyGGQAAMBQMZRLQU-UHFFFAOYSA-N
XLogP0.92
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 66120174) is 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCc1cc(-c2nc(CCCN)no2)n(C)n1.
What is the InChIKey of 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is GGQAAMBQMZRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-8-7-9(16(2)14-8)11-13-10(15-17-11)5-4-6-12/h7H,3-6,12H2,1-2H3.
What are the key properties of 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 66120174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).