N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

C8H12N6O2S — CID 47363855

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1nncn1C
InChIInChI=1S/C8H12N6O2S/c1-6(8-12-11-5-14(8)2)13-17(15,16)7-3-9-10-4-7/h3-6,13H,1-2H3,(H,9,10)
InChIKeyQVTVGCLMNQDMNG-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.42
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47363855) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47363855
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)c1nncn1C
InChIInChI=1S/C8H12N6O2S/c1-6(8-12-11-5-14(8)2)13-17(15,16)7-3-9-10-4-7/h3-6,13H,1-2H3,(H,9,10)
InChIKeyQVTVGCLMNQDMNG-UHFFFAOYSA-N
XLogP-0.42
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-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 N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 47363855) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QVTVGCLMNQDMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-6(8-12-11-5-14(8)2)13-17(15,16)7-3-9-10-4-7/h3-6,13H,1-2H3,(H,9,10).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).