3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C13H19N5O — CID 65196052

IUPAC3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccn(C)n3)no2)CCNC1
InChIInChI=1S/C13H19N5O/c1-3-5-13(6-7-14-9-13)12-15-11(17-19-12)10-4-8-18(2)16-10/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyLORNZLWZNVSZJX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.50
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 65196052) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID65196052
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccn(C)n3)no2)CCNC1
InChIInChI=1S/C13H19N5O/c1-3-5-13(6-7-14-9-13)12-15-11(17-19-12)10-4-8-18(2)16-10/h4,8,14H,3,5-7,9H2,1-2H3
InChIKeyLORNZLWZNVSZJX-UHFFFAOYSA-N
XLogP1.50
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 65196052) is 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccn(C)n3)no2)CCNC1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is LORNZLWZNVSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-5-13(6-7-14-9-13)12-15-11(17-19-12)10-4-8-18(2)16-10/h4,8,14H,3,5-7,9H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).