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

C11H16N4OS — CID 10610834

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole
SMILESCCCSc1nnc(-c2cc(CC)nn2C)o1
InChIInChI=1S/C11H16N4OS/c1-4-6-17-11-13-12-10(16-11)9-7-8(5-2)14-15(9)3/h7H,4-6H2,1-3H3
InChIKeyYKOMHXMABFMUIM-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.53
Rot. Bonds5

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

2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole (PubChem CID 10610834) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole
PubChem CID10610834
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole
SMILESCCCSc1nnc(-c2cc(CC)nn2C)o1
InChIInChI=1S/C11H16N4OS/c1-4-6-17-11-13-12-10(16-11)9-7-8(5-2)14-15(9)3/h7H,4-6H2,1-3H3
InChIKeyYKOMHXMABFMUIM-UHFFFAOYSA-N
XLogP2.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole (CID 10610834) is 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole is CCCSc1nnc(-c2cc(CC)nn2C)o1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole?
The InChIKey is YKOMHXMABFMUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-4-6-17-11-13-12-10(16-11)9-7-8(5-2)14-15(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole?
2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole has a molecular weight of 252.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-5-propylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 10610834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).