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

C11H15N5O — CID 63024578

IUPAC5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(C3CCCNC3)no2)cn1
InChIInChI=1S/C11H15N5O/c1-16-7-9(6-13-16)11-14-10(15-17-11)8-3-2-4-12-5-8/h6-8,12H,2-5H2,1H3
InChIKeyLMYGERIJYFFBQZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.94
Rot. Bonds2

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

5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63024578) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63024578
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(C3CCCNC3)no2)cn1
InChIInChI=1S/C11H15N5O/c1-16-7-9(6-13-16)11-14-10(15-17-11)8-3-2-4-12-5-8/h6-8,12H,2-5H2,1H3
InChIKeyLMYGERIJYFFBQZ-UHFFFAOYSA-N
XLogP0.94
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-1H-pyrazol-5-amine
CID 29044722
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53599226
[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 72134900
(1-Ethylpyrazol-4-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72134902
(1-Cyclohexylpyrazol-4-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72137567
(1-Tert-butylpyrazol-4-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72147024
1-[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 72147278
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 91917599
[3-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271099
2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane
CID 75451169
3-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 75480427

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63024578) is 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is Cn1cc(-c2nc(C3CCCNC3)no2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is LMYGERIJYFFBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-7-9(6-13-16)11-14-10(15-17-11)8-3-2-4-12-5-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).