3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

C22H29FN4O4S — CID 150871838

IUPAC3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1)CC2(C)C
InChIInChI=1S/C22H29FN4O4S/c1-12(2)14-8-13(23)9-16-19(14)15(11-22(16,3)4)20(28)25-32(30,31)18-10-17(27(7)24-18)21(29)26(5)6/h8-10,12,15H,11H2,1-7H3,(H,25,28)
InChIKeyKUESYUWBBWUMGD-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.65
Rot. Bonds5

About 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (PubChem CID 150871838) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
PubChem CID150871838
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1)CC2(C)C
InChIInChI=1S/C22H29FN4O4S/c1-12(2)14-8-13(23)9-16-19(14)15(11-22(16,3)4)20(28)25-32(30,31)18-10-17(27(7)24-18)21(29)26(5)6/h8-10,12,15H,11H2,1-7H3,(H,25,28)
InChIKeyKUESYUWBBWUMGD-UHFFFAOYSA-N
XLogP2.65
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide with MolForge

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Related Compounds

US11530200, Example 16
CID 150256271
US11530200, Example 15
CID 153337681
N-(benzenesulfonyl)-5-tert-butyl-2-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 121250413
N-(3-aminophenyl)sulfonyl-5-tert-butyl-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 121250571
N-(3-amino-4-fluorophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250984
N-(benzenesulfonyl)-5-tert-butyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 121251155
N-(3-aminophenyl)sulfonyl-3-(2-fluoro-3-methylphenyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121251442
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 121251502
3-tert-butyl-N-(2,6-difluorophenyl)sulfonyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252296
3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]-N-(2-fluorophenyl)sulfonylpyrazole-5-carboxamide
CID 121252334
3-tert-butyl-N-(3-fluorophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252398
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 121252462

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (CID 150871838) is 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is CC(C)c1cc(F)cc2c1C(C(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1)CC2(C)C.
What is the InChIKey of 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The InChIKey is KUESYUWBBWUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c1-12(2)14-8-13(23)9-16-19(14)15(11-22(16,3)4)20(28)25-32(30,31)18-10-17(27(7)24-18)21(29)26(5)6/h8-10,12,15H,11H2,1-7H3,(H,25,28).
What are the key properties of 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3,3-dimethyl-7-propan-2-yl-1,2-dihydroindene-1-carbonyl)sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 150871838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).