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

C11H17N5O4S — CID 91917662

IUPAC1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2noc(COC)n2)cn1
InChIInChI=1S/C11H17N5O4S/c1-3-16-7-9(6-12-16)21(17,18)13-5-4-10-14-11(8-19-2)20-15-10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyKNBKNUMWYGCUGJ-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.05
Rot. Bonds8

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

1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 91917662) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID91917662
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2noc(COC)n2)cn1
InChIInChI=1S/C11H17N5O4S/c1-3-16-7-9(6-12-16)21(17,18)13-5-4-10-14-11(8-19-2)20-15-10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyKNBKNUMWYGCUGJ-UHFFFAOYSA-N
XLogP-0.05
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide (CID 91917662) is 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2noc(COC)n2)cn1.
What is the InChIKey of 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is KNBKNUMWYGCUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-3-16-7-9(6-12-16)21(17,18)13-5-4-10-14-11(8-19-2)20-15-10/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91917662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).