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

C87H119F2N19O12S4 — CID 159920712

IUPAC1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)C.CCC(c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C)N(C)C.CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C
InChIInChI=1S/C23H28FN5O3S.C22H34FN5O3S.C22H31N5O3S.C20H26N4O3S/c1-15(2)19-11-17(24)12-20(16-9-7-6-8-10-16)22(19)25-23(30)27-33(31,32)21-13-18(14-28(3)4)29(5)26-21;1-9-18(27(6)7)19-12-20(25-28(19)8)32(30,31)26-22(29)24-21-16(13(2)3)10-15(23)11-17(21)14(4)5;1-14(2)27-17(13-26(3)4)12-20(24-27)31(29,30)25-22(28)23-21-18-9-5-7-15(18)11-16-8-6-10-19(16)21;1-3-6-15-12-18(22-24(15)2)28(26,27)23-20(25)21-19-16-9-4-7-13(16)11-14-8-5-10-17(14)19/h6-13,15H,14H2,1-5H3,(H2,25,27,30);10-14,18H,9H2,1-8H3,(H2,24,26,29);11-12,14H,5-10,13H2,1-4H3,(H2,23,25,28);11-12H,3-10H2,1-2H3,(H2,21,23,25)
InChIKeyNYIYTQOPPZNKOT-UHFFFAOYSA-N
MW1789.29 g/mol
LogP14.12
Rot. Bonds26

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

1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea (PubChem CID 159920712) has the molecular formula C87H119F2N19O12S4 and a molecular weight of 1789.29 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea
PubChem CID159920712
Molecular FormulaC87H119F2N19O12S4
Molecular Weight1789.29 g/mol
Exact Mass1787.81
IUPAC Name1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)C.CCC(c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C)N(C)C.CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C
InChIInChI=1S/C23H28FN5O3S.C22H34FN5O3S.C22H31N5O3S.C20H26N4O3S/c1-15(2)19-11-17(24)12-20(16-9-7-6-8-10-16)22(19)25-23(30)27-33(31,32)21-13-18(14-28(3)4)29(5)26-21;1-9-18(27(6)7)19-12-20(25-28(19)8)32(30,31)26-22(29)24-21-16(13(2)3)10-15(23)11-17(21)14(4)5;1-14(2)27-17(13-26(3)4)12-20(24-27)31(29,30)25-22(28)23-21-18-9-5-7-15(18)11-16-8-6-10-19(16)21;1-3-6-15-12-18(22-24(15)2)28(26,27)23-20(25)21-19-16-9-4-7-13(16)11-14-8-5-10-17(14)19/h6-13,15H,14H2,1-5H3,(H2,25,27,30);10-14,18H,9H2,1-8H3,(H2,24,26,29);11-12,14H,5-10,13H2,1-4H3,(H2,23,25,28);11-12H,3-10H2,1-2H3,(H2,21,23,25)
InChIKeyNYIYTQOPPZNKOT-UHFFFAOYSA-N
XLogP14.12
TPSA382.08 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.29
LogP ≤ 514.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea (CID 159920712) is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CN(C)C.CCC(c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)nn1C)N(C)C.CCCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea?
The InChIKey is NYIYTQOPPZNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S.C22H34FN5O3S.C22H31N5O3S.C20H26N4O3S/c1-15(2)19-11-17(24)12-20(16-9-7-6-8-10-16)22(19)25-23(30)27-33(31,32)21-13-18(14-28(3)4)29(5)26-21;1-9-18(27(6)7)19-12-20(25-28(19)8)32(30,31)26-22(29)24-21-16(13(2)3)10-15(23)11-17(21)14(4)5;1-14(2)27-17(13-26(3)4)12-20(24-27)31(29,30)25-22(28)23-21-18-9-5-7-15(18)11-16-8-6-10-19(16)21;1-3-6-15-12-18(22-24(15)2)28(26,27)23-20(25)21-19-16-9-4-7-13(16)11-14-8-5-10-17(14)19/h6-13,15H,14H2,1-5H3,(H2,25,27,30);10-14,18H,9H2,1-8H3,(H2,24,26,29);11-12,14H,5-10,13H2,1-4H3,(H2,23,25,28);11-12H,3-10H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea?
1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea has a molecular weight of 1789.29 g/mol, XLogP of 14.12, 26 rotatable bonds, 8 hydrogen bond donors, and 23 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-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[5-[1-(dimethylamino)propyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-5-propylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 159920712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).