3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

C13H14N6O2S — CID 19683377

IUPAC3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C13H14N6O2S/c1-10-13(22(20,21)17-18-8-14-15-9-18)11(2)19(16-10)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyKRKRRUNBQJERBN-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.01
Rot. Bonds4

About 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 19683377) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
PubChem CID19683377
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C13H14N6O2S/c1-10-13(22(20,21)17-18-8-14-15-9-18)11(2)19(16-10)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyKRKRRUNBQJERBN-UHFFFAOYSA-N
XLogP1.01
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-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 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (CID 19683377) is 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nn1cnnc1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is KRKRRUNBQJERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-10-13(22(20,21)17-18-8-14-15-9-18)11(2)19(16-10)12-6-4-3-5-7-12/h3-9,17H,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19683377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).