3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide

C23H26FN3O3S — CID 121252334

IUPAC3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H26FN3O3S/c1-15-9-8-10-16(2)17(15)14-27-19(13-21(25-27)23(3,4)5)22(28)26-31(29,30)20-12-7-6-11-18(20)24/h6-13H,14H2,1-5H3,(H,26,28)
InChIKeyUDOCTWBCWFOXFR-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.10
Rot. Bonds5

About 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide

3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide (PubChem CID 121252334) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide
PubChem CID121252334
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide
SMILESCc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H26FN3O3S/c1-15-9-8-10-16(2)17(15)14-27-19(13-21(25-27)23(3,4)5)22(28)26-31(29,30)20-12-7-6-11-18(20)24/h6-13H,14H2,1-5H3,(H,26,28)
InChIKeyUDOCTWBCWFOXFR-UHFFFAOYSA-N
XLogP4.10
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide 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

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10603555
5-tert-butyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2810094
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide
CID 2812921
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
3-methyl-1-(piperidin-3-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10928313
1-(4-aminobutyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11730277
3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 2747306
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
5-(4-Fluoro-phenyl)-1-(4-sulfamoyl-phenyl)-1H-pyrazole-3-carboxylic acid amide
CID 12080914
US11530200, Example 16
CID 150256271
1-[[3-Tert-butyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carbonyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2747274

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide (CID 121252334) is 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide is Cc1cccc(C)c1Cn1nc(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide?
The InChIKey is UDOCTWBCWFOXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-15-9-8-10-16(2)17(15)14-27-19(13-21(25-27)23(3,4)5)22(28)26-31(29,30)20-12-7-6-11-18(20)24/h6-13H,14H2,1-5H3,(H,26,28).
What are the key properties of 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide?
3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide is sourced from PubChem (CID 121252334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).