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

C12H17N5O — CID 128881282

IUPAC3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cn(C)nc2C2CCCNC2)n1
InChIInChI=1S/C12H17N5O/c1-8-14-12(18-16-8)10-7-17(2)15-11(10)9-4-3-5-13-6-9/h7,9,13H,3-6H2,1-2H3
InChIKeyYFDFHPDOLHHISP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds2

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

3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 128881282) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID128881282
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cn(C)nc2C2CCCNC2)n1
InChIInChI=1S/C12H17N5O/c1-8-14-12(18-16-8)10-7-17(2)15-11(10)9-4-3-5-13-6-9/h7,9,13H,3-6H2,1-2H3
InChIKeyYFDFHPDOLHHISP-UHFFFAOYSA-N
XLogP1.25
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridin-6-ol
CID 115038385
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-[4-(oxolan-2-yl)piperidin-1-yl]methanone
CID 128882752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole (CID 128881282) is 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1noc(-c2cn(C)nc2C2CCCNC2)n1.
What is the InChIKey of 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is YFDFHPDOLHHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-14-12(18-16-8)10-7-17(2)15-11(10)9-4-3-5-13-6-9/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128881282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).