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

C9H14N6O3S — CID 61125435

IUPAC3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2nc(C)no2)c(N)n1
InChIInChI=1S/C9H14N6O3S/c1-3-15-5-7(9(10)13-15)19(16,17)11-4-8-12-6(2)14-18-8/h5,11H,3-4H2,1-2H3,(H2,10,13)
InChIKeyMETFCEHVEGJCQC-UHFFFAOYSA-N
MW286.32 g/mol
LogP-0.34
Rot. Bonds5

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

3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 61125435) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID61125435
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2nc(C)no2)c(N)n1
InChIInChI=1S/C9H14N6O3S/c1-3-15-5-7(9(10)13-15)19(16,17)11-4-8-12-6(2)14-18-8/h5,11H,3-4H2,1-2H3,(H2,10,13)
InChIKeyMETFCEHVEGJCQC-UHFFFAOYSA-N
XLogP-0.34
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 61125435) is 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2nc(C)no2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is METFCEHVEGJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-3-15-5-7(9(10)13-15)19(16,17)11-4-8-12-6(2)14-18-8/h5,11H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 61125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).