1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea

C85H127F3N20O12S4 — CID 161225114

About 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea

1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea (PubChem CID 161225114) has the molecular formula C85H127F3N20O12S4 and a molecular weight of 1806.34 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea
• PubChem CID: 161225114
• Molecular Formula: C85H127F3N20O12S4
• Molecular Weight: 1806.34 g/mol
• Exact Mass: 1804.88
• IUPAC Name: 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea
• SMILES: CC(C)N(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CCN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C
• InChI: InChI=1S/C22H34FN5O3S.C22H31N5O3S.C21H32FN5O3S.C20H30FN5O3S/c1-13(2)18-9-16(23)10-19(14(3)4)21(18)24-22(29)26-32(30,31)20-11-17(28(8)25-20)12-27(7)15(5)6;1-14(2)26(3)13-17-12-20(24-27(17)4)31(29,30)25-22(28)23-21-18-9-5-7-15(18)11-16-8-6-10-19(16)21;1-8-26(6)12-16-11-19(24-27(16)7)31(29,30)25-21(28)23-20-17(13(2)3)9-15(22)10-18(20)14(4)5;1-12(2)16-8-14(21)9-17(13(3)4)19(16)22-20(27)24-30(28,29)18-10-15(11-25(5)6)26(7)23-18/h9-11,13-15H,12H2,1-8H3,(H2,24,26,29);11-12,14H,5-10,13H2,1-4H3,(H2,23,25,28);9-11,13-14H,8,12H2,1-7H3,(H2,23,25,28);8-10,12-13H,11H2,1-7H3,(H2,22,24,27)
• InChIKey: UYAAJTJALLSROX-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 385.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.34
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea (CID 161225114) is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea is CC(C)N(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CCN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C.

What is the InChIKey of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea?

The InChIKey is UYAAJTJALLSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN5O3S.C22H31N5O3S.C21H32FN5O3S.C20H30FN5O3S/c1-13(2)18-9-16(23)10-19(14(3)4)21(18)24-22(29)26-32(30,31)20-11-17(28(8)25-20)12-27(7)15(5)6;1-14(2)26(3)13-17-12-20(24-27(17)4)31(29,30)25-22(28)23-21-18-9-5-7-15(18)11-16-8-6-10-19(16)21;1-8-26(6)12-16-11-19(24-27(16)7)31(29,30)25-21(28)23-20-17(13(2)3)9-15(22)10-18(20)14(4)5;1-12(2)16-8-14(21)9-17(13(3)4)19(16)22-20(27)24-30(28,29)18-10-15(11-25(5)6)26(7)23-18/h9-11,13-15H,12H2,1-8H3,(H2,24,26,29);11-12,14H,5-10,13H2,1-4H3,(H2,23,25,28);9-11,13-14H,8,12H2,1-7H3,(H2,23,25,28);8-10,12-13H,11H2,1-7H3,(H2,22,24,27).

What are the key properties of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea?

1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea has a molecular weight of 1806.34 g/mol, XLogP of 14.05, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[5-[[ethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-[[methyl(propan-2-yl)amino]methyl]pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 161225114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).