5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole

C12H17N5O3S — CID 53018922

IUPAC5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1
InChIInChI=1S/C12H17N5O3S/c1-4-21(18,19)17-6-5-10-9(7-17)11(14-16(10)3)12-13-8(2)15-20-12/h4-7H2,1-3H3
InChIKeyCCMMSOZEXZLYMU-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.49
Rot. Bonds3

About 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole

5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 53018922) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID53018922
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1
InChIInChI=1S/C12H17N5O3S/c1-4-21(18,19)17-6-5-10-9(7-17)11(14-16(10)3)12-13-8(2)15-20-12/h4-7H2,1-3H3
InChIKeyCCMMSOZEXZLYMU-UHFFFAOYSA-N
XLogP0.49
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole (CID 53018922) is 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole is CCS(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1.
What is the InChIKey of 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is CCMMSOZEXZLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-4-21(18,19)17-6-5-10-9(7-17)11(14-16(10)3)12-13-8(2)15-20-12/h4-7H2,1-3H3.
What are the key properties of 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 311.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53018922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).