3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide

C13H21N5O2S — CID 75454447

IUPAC3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cn[nH]c1C
InChIInChI=1S/C13H21N5O2S/c1-8(2)7-18-11(5)13(10(4)16-18)21(19,20)17-12-6-14-15-9(12)3/h6,8,17H,7H2,1-5H3,(H,14,15)
InChIKeyRYFKXWWVRVGUSH-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.99
Rot. Bonds5

About 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide

3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 75454447) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide
PubChem CID75454447
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cn[nH]c1C
InChIInChI=1S/C13H21N5O2S/c1-8(2)7-18-11(5)13(10(4)16-18)21(19,20)17-12-6-14-15-9(12)3/h6,8,17H,7H2,1-5H3,(H,14,15)
InChIKeyRYFKXWWVRVGUSH-UHFFFAOYSA-N
XLogP1.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-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

Related Compounds

3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 9115356
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49670912
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
5-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 71863454
5-tert-butyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 71979609
1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 19581843
1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 19583006
1-(Difluoromethyl)-N~4~-[3-(3,5-dimethyl-1H-pyrazol-1-YL)-2-methylpropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 19614323
1,5-Dimethyl-N~4~-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-1H-pyrazole-4-sulfonamide
CID 19614426
1-ethyl-3-methyl-N-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-pyrazole-4-sulfonamide
CID 19614495
1-(Difluoromethyl)-5-methyl-N~4~-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-1H-pyrazole-4-sulfonamide
CID 19614865

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide (CID 75454447) is 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cn[nH]c1C.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is RYFKXWWVRVGUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-8(2)7-18-11(5)13(10(4)16-18)21(19,20)17-12-6-14-15-9(12)3/h6,8,17H,7H2,1-5H3,(H,14,15).
What are the key properties of 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75454447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).