1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide

C11H17N5O3S — CID 164639557

IUPAC1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCc1noc([C@H](C)NS(=O)(=O)c2cnn(CC)c2)n1
InChIInChI=1S/C11H17N5O3S/c1-4-10-13-11(19-14-10)8(3)15-20(17,18)9-6-12-16(5-2)7-9/h6-8,15H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyROANJBYWYOJCLB-QMMMGPOBSA-N
MW299.36 g/mol
LogP0.89
Rot. Bonds6

About 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 164639557) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID164639557
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCc1noc([C@H](C)NS(=O)(=O)c2cnn(CC)c2)n1
InChIInChI=1S/C11H17N5O3S/c1-4-10-13-11(19-14-10)8(3)15-20(17,18)9-6-12-16(5-2)7-9/h6-8,15H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyROANJBYWYOJCLB-QMMMGPOBSA-N
XLogP0.89
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide (CID 164639557) is 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide is CCc1noc([C@H](C)NS(=O)(=O)c2cnn(CC)c2)n1.
What is the InChIKey of 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is ROANJBYWYOJCLB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-4-10-13-11(19-14-10)8(3)15-20(17,18)9-6-12-16(5-2)7-9/h6-8,15H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 164639557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).