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

C12H19N5O — CID 65196009

IUPAC3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)13-7-4-5-11-14-12(16-18-11)10-6-8-17(3)15-10/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyXPQOZVIMTBWERO-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.40
Rot. Bonds6

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

3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65196009) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65196009
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)13-7-4-5-11-14-12(16-18-11)10-6-8-17(3)15-10/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyXPQOZVIMTBWERO-UHFFFAOYSA-N
XLogP1.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine (CID 65196009) is 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nc(-c2ccn(C)n2)no1.
What is the InChIKey of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is XPQOZVIMTBWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)13-7-4-5-11-14-12(16-18-11)10-6-8-17(3)15-10/h6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65196009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).