N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide

C11H17N5O3S — CID 125441330

IUPACN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H](C)c2nc(C)no2)cn1
InChIInChI=1S/C11H17N5O3S/c1-4-5-16-7-10(6-12-16)20(17,18)15-8(2)11-13-9(3)14-19-11/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1
InChIKeySKWXQYFTXUEMBA-MRVPVSSYSA-N
MW299.36 g/mol
LogP1.02
Rot. Bonds6

About N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide

N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 125441330) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide
PubChem CID125441330
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H](C)c2nc(C)no2)cn1
InChIInChI=1S/C11H17N5O3S/c1-4-5-16-7-10(6-12-16)20(17,18)15-8(2)11-13-9(3)14-19-11/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1
InChIKeySKWXQYFTXUEMBA-MRVPVSSYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide (CID 125441330) is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@H](C)c2nc(C)no2)cn1.
What is the InChIKey of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is SKWXQYFTXUEMBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-4-5-16-7-10(6-12-16)20(17,18)15-8(2)11-13-9(3)14-19-11/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 125441330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).