3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 43397195

IUPAC3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C12H16N4O2S/c1-8(11-5-4-6-13-7-11)16-19(17,18)12-9(2)14-15-10(12)3/h4-8,16H,1-3H3,(H,14,15)
InChIKeyVYCLSEFZYFAUMN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.46
Rot. Bonds4

About 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 43397195) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID43397195
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C12H16N4O2S/c1-8(11-5-4-6-13-7-11)16-19(17,18)12-9(2)14-15-10(12)3/h4-8,16H,1-3H3,(H,14,15)
InChIKeyVYCLSEFZYFAUMN-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-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

Related Compounds

2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
5-methyl-4-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 81394759
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide (CID 43397195) is 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC(C)c1cccnc1.
What is the InChIKey of 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VYCLSEFZYFAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8(11-5-4-6-13-7-11)16-19(17,18)12-9(2)14-15-10(12)3/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43397195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).