3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide

C12H16N4O2S — CID 62002029

IUPAC3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O2S/c1-9-6-4-5-7-10(9)16(3)19(17,18)11-8-15(2)14-12(11)13/h4-8H,1-3H3,(H2,13,14)
InChIKeyBXFNWBAMSRNPAU-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.14
Rot. Bonds3

About 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide

3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 62002029) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
PubChem CID62002029
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O2S/c1-9-6-4-5-7-10(9)16(3)19(17,18)11-8-15(2)14-12(11)13/h4-8H,1-3H3,(H2,13,14)
InChIKeyBXFNWBAMSRNPAU-UHFFFAOYSA-N
XLogP1.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-N,1-dimethyl-N-(2-methylphenyl)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-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide (CID 62002029) is 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is BXFNWBAMSRNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-6-4-5-7-10(9)16(3)19(17,18)11-8-15(2)14-12(11)13/h4-8H,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 62002029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).