N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

C10H14N4O3S — CID 47959066

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O3S/c1-7-10(8(2)17-13-7)5-12-18(15,16)9-4-11-14(3)6-9/h4,6,12H,5H2,1-3H3
InChIKeyZJCQITLYSATFRJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.50
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 47959066) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID47959066
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O3S/c1-7-10(8(2)17-13-7)5-12-18(15,16)9-4-11-14(3)6-9/h4,6,12H,5H2,1-3H3
InChIKeyZJCQITLYSATFRJ-UHFFFAOYSA-N
XLogP0.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-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 N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 47959066) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZJCQITLYSATFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-7-10(8(2)17-13-7)5-12-18(15,16)9-4-11-14(3)6-9/h4,6,12H,5H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 47959066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).