1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea

C86H126F2N20O16S4 — CID 162036273

About 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea (PubChem CID 162036273) has the molecular formula C86H126F2N20O16S4 and a molecular weight of 1862.34 g/mol. Its IUPAC name is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea
• PubChem CID: 162036273
• Molecular Formula: C86H126F2N20O16S4
• Molecular Weight: 1862.34 g/mol
• Exact Mass: 1860.85
• IUPAC Name: 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea
• SMILES: CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(CN(C)CCO)n(C)n1.CN(CCO)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.COCCN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C.COCCN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C
• InChI: InChI=1S/C22H34FN5O4S.C22H31N5O4S.C21H32FN5O4S.C21H29N5O4S/c1-14(2)18-10-16(23)11-19(15(3)4)21(18)24-22(29)26-33(30,31)20-12-17(28(6)25-20)13-27(5)8-9-32-7;1-26(10-11-31-3)14-17-13-20(24-27(17)2)32(29,30)25-22(28)23-21-18-8-4-6-15(18)12-16-7-5-9-19(16)21;1-13(2)17-9-15(22)10-18(14(3)4)20(17)23-21(29)25-32(30,31)19-11-16(27(6)24-19)12-26(5)7-8-28;1-25(9-10-27)13-16-12-19(23-26(16)2)31(29,30)24-21(28)22-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h10-12,14-15H,8-9,13H2,1-7H3,(H2,24,26,29);12-13H,4-11,14H2,1-3H3,(H2,23,25,28);9-11,13-14,28H,7-8,12H2,1-6H3,(H2,23,25,29);11-12,27H,3-10,13H2,1-2H3,(H2,22,24,28)
• InChIKey: YWRMNPYARUTGFM-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 444.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.34
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea (CID 162036273) is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea.

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

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

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

The InChIKey is YWRMNPYARUTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN5O4S.C22H31N5O4S.C21H32FN5O4S.C21H29N5O4S/c1-14(2)18-10-16(23)11-19(15(3)4)21(18)24-22(29)26-33(30,31)20-12-17(28(6)25-20)13-27(5)8-9-32-7;1-26(10-11-31-3)14-17-13-20(24-27(17)2)32(29,30)25-22(28)23-21-18-8-4-6-15(18)12-16-7-5-9-19(16)21;1-13(2)17-9-15(22)10-18(14(3)4)20(17)23-21(29)25-32(30,31)19-11-16(27(6)24-19)12-26(5)7-8-28;1-25(9-10-27)13-16-12-19(23-26(16)2)31(29,30)24-21(28)22-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h10-12,14-15H,8-9,13H2,1-7H3,(H2,24,26,29);12-13H,4-11,14H2,1-3H3,(H2,23,25,28);9-11,13-14,28H,7-8,12H2,1-6H3,(H2,23,25,29);11-12,27H,3-10,13H2,1-2H3,(H2,22,24,28).

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

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea has a molecular weight of 1862.34 g/mol, XLogP of 9.45, 34 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-[[2-methoxyethyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 162036273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).