3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole

C14H20N6O3S — CID 128971160

IUPAC3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(S(=O)(=O)c2ccnn2C)CC1c1nc(C2CC2)no1
InChIInChI=1S/C14H20N6O3S/c1-18-7-8-20(24(21,22)12-5-6-15-19(12)2)9-11(18)14-16-13(17-23-14)10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyOOBTXAHISXPXRY-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.36
Rot. Bonds4

About 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 128971160) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole
PubChem CID128971160
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(S(=O)(=O)c2ccnn2C)CC1c1nc(C2CC2)no1
InChIInChI=1S/C14H20N6O3S/c1-18-7-8-20(24(21,22)12-5-6-15-19(12)2)9-11(18)14-16-13(17-23-14)10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyOOBTXAHISXPXRY-UHFFFAOYSA-N
XLogP0.36
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole (CID 128971160) is 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole is CN1CCN(S(=O)(=O)c2ccnn2C)CC1c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is OOBTXAHISXPXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-18-7-8-20(24(21,22)12-5-6-15-19(12)2)9-11(18)14-16-13(17-23-14)10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).