N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

C107H136F3N29O20S5 — CID 157347311

About N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (PubChem CID 157347311) has the molecular formula C107H136F3N29O20S5 and a molecular weight of 2365.78 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
• PubChem CID: 157347311
• Molecular Formula: C107H136F3N29O20S5
• Molecular Weight: 2365.78 g/mol
• Exact Mass: 2363.91
• IUPAC Name: N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
• SMILES: CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C2CC2)n(C)n1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N2CC(F)C2)n(C)n1.[C-]#[N+]CN(C)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nn1C
• InChI: InChI=1S/C22H25FN6O4S.C22H31N5O4S.C21H24FN7O4S.C21H28FN5O4S.C21H28N6O4S/c1-13(2)16-9-15(23)10-17(14-7-6-8-24-12-14)20(16)25-22(31)27-34(32,33)19-11-18(29(5)26-19)21(30)28(3)4;1-13(2)16-8-7-9-17(14(3)4)20(16)23-22(29)25-32(30,31)19-12-18(27(6)24-19)21(28)26(5)15-10-11-15;1-12(2)15-6-14(22)7-16(13-9-23-11-24-10-13)19(15)25-21(31)27-34(32,33)18-8-17(29(5)26-18)20(30)28(3)4;1-12(2)15-7-6-8-16(13(3)4)19(15)23-21(29)25-32(30,31)18-9-17(26(5)24-18)20(28)27-10-14(22)11-27;1-13(2)15-9-8-10-16(14(3)4)19(15)23-21(29)25-32(30,31)18-11-17(27(7)24-18)20(28)26(6)12-22-5/h6-13H,1-5H3,(H2,25,27,31);7-9,12-15H,10-11H2,1-6H3,(H2,23,25,29);6-12H,1-5H3,(H2,25,27,31);6-9,12-14H,10-11H2,1-5H3,(H2,23,25,29);8-11,13-14H,12H2,1-4,6-7H3,(H2,23,25,29)
• InChIKey: BHCVKBJOCNEINP-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 610.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.78
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?

The IUPAC name of N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (CID 157347311) is N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?

The canonical SMILES for N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C2CC2)n(C)n1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N2CC(F)C2)n(C)n1.[C-]#[N+]CN(C)C(=O)c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nn1C.

What is the InChIKey of N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?

The InChIKey is BHCVKBJOCNEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4S.C22H31N5O4S.C21H24FN7O4S.C21H28FN5O4S.C21H28N6O4S/c1-13(2)16-9-15(23)10-17(14-7-6-8-24-12-14)20(16)25-22(31)27-34(32,33)19-11-18(29(5)26-19)21(30)28(3)4;1-13(2)16-8-7-9-17(14(3)4)20(16)23-22(29)25-32(30,31)19-12-18(27(6)24-19)21(28)26(5)15-10-11-15;1-12(2)15-6-14(22)7-16(13-9-23-11-24-10-13)19(15)25-21(31)27-34(32,33)18-8-17(29(5)26-18)20(30)28(3)4;1-12(2)15-7-6-8-16(13(3)4)19(15)23-21(29)25-32(30,31)18-9-17(26(5)24-18)20(28)27-10-14(22)11-27;1-13(2)15-9-8-10-16(14(3)4)19(15)23-21(29)25-32(30,31)18-11-17(27(7)24-18)20(28)26(6)12-22-5/h6-13H,1-5H3,(H2,25,27,31);7-9,12-15H,10-11H2,1-6H3,(H2,23,25,29);6-12H,1-5H3,(H2,25,27,31);6-9,12-14H,10-11H2,1-5H3,(H2,23,25,29);8-11,13-14H,12H2,1-4,6-7H3,(H2,23,25,29).

What are the key properties of N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?

N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide has a molecular weight of 2365.78 g/mol, XLogP of 14.82, 32 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 157347311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).