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

C10H16N6O3S — CID 106391983

IUPAC3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2noc(C)n2)c(N)n1
InChIInChI=1S/C10H16N6O3S/c1-3-4-16-6-8(10(11)14-16)20(17,18)12-5-9-13-7(2)19-15-9/h6,12H,3-5H2,1-2H3,(H2,11,14)
InChIKeyCWNJVMOXJODUSP-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.05
Rot. Bonds6

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

3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 106391983) has the molecular formula C10H16N6O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID106391983
Molecular FormulaC10H16N6O3S
Molecular Weight300.34 g/mol
Exact Mass300.10
IUPAC Name3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2noc(C)n2)c(N)n1
InChIInChI=1S/C10H16N6O3S/c1-3-4-16-6-8(10(11)14-16)20(17,18)12-5-9-13-7(2)19-15-9/h6,12H,3-5H2,1-2H3,(H2,11,14)
InChIKeyCWNJVMOXJODUSP-UHFFFAOYSA-N
XLogP0.05
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 106391983) is 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCc2noc(C)n2)c(N)n1.
What is the InChIKey of 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is CWNJVMOXJODUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3S/c1-3-4-16-6-8(10(11)14-16)20(17,18)12-5-9-13-7(2)19-15-9/h6,12H,3-5H2,1-2H3,(H2,11,14).
What are the key properties of 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 106391983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).