1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one

C150H174FN19O11 — CID 158381725

About 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one

1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one (PubChem CID 158381725) has the molecular formula C150H174FN19O11 and a molecular weight of 2438.16 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one
• PubChem CID: 158381725
• Molecular Formula: C150H174FN19O11
• Molecular Weight: 2438.16 g/mol
• Exact Mass: 2436.36
• IUPAC Name: 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one
• SMILES: COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(CO)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3ccc(C)nc3)nn2C)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3cnc(C)nc3)nn2C)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C33H37FN4O2.C32H36N4O3.C32H36N4O2.C27H33N3O2.C26H32N4O2/c1-21-14-25(10-11-31(21)34)30-16-24(12-13-40-4)15-26(30)17-29(39)18-32-22(2)33(27-19-35-23(3)36-20-27)37-38(32)28-8-6-5-7-9-28;1-22-30(36(27-11-7-4-8-12-27)35-32(22)26-19-33-31(21-37)34-20-26)18-28(38)17-25-15-23(13-14-39-2)16-29(25)24-9-5-3-6-10-24;1-22-31(36(28-12-8-5-9-13-28)35-32(22)27-20-33-23(2)34-21-27)19-29(37)18-26-16-24(14-15-38-3)17-30(26)25-10-6-4-7-11-25;1-19-9-10-22(18-28-19)27-17-24(30(2)29-27)16-25(31)15-23-13-20(11-12-32-3)14-26(23)21-7-5-4-6-8-21;1-18-27-16-22(17-28-18)26-15-23(30(2)29-26)14-24(31)13-21-11-19(9-10-32-3)12-25(21)20-7-5-4-6-8-20/h5-11,14,19-20,24,26,30H,12-13,15-18H2,1-4H3;3-12,19-20,23,25,29,37H,13-18,21H2,1-2H3;4-13,20-21,24,26,30H,14-19H2,1-3H3;4-10,17-18,20,23,26H,11-16H2,1-3H3;4-8,15-17,19,21,25H,9-14H2,1-3H3/t24-,26+,30+;23-,25+,29+;24-,26+,30+;20-,23+,26+;19-,21+,25+/m11111/s1
• InChIKey: GVWJLPZGONLBSJ-ZYYGYUQCSA-N
• XLogP: 28.19
• TPSA: 356.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 49
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2438.16
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The IUPAC name of 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one (CID 158381725) is 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one.

What is the SMILES notation for 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The canonical SMILES for 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one is COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(CO)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3ccc(C)nc3)nn2C)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3cnc(C)nc3)nn2C)[C@H](c2ccccc2)C1.

What is the InChIKey of 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The InChIKey is GVWJLPZGONLBSJ-ZYYGYUQCSA-N. The full InChI is InChI=1S/C33H37FN4O2.C32H36N4O3.C32H36N4O2.C27H33N3O2.C26H32N4O2/c1-21-14-25(10-11-31(21)34)30-16-24(12-13-40-4)15-26(30)17-29(39)18-32-22(2)33(27-19-35-23(3)36-20-27)37-38(32)28-8-6-5-7-9-28;1-22-30(36(27-11-7-4-8-12-27)35-32(22)26-19-33-31(21-37)34-20-26)18-28(38)17-25-15-23(13-14-39-2)16-29(25)24-9-5-3-6-10-24;1-22-31(36(28-12-8-5-9-13-28)35-32(22)27-20-33-23(2)34-21-27)19-29(37)18-26-16-24(14-15-38-3)17-30(26)25-10-6-4-7-11-25;1-19-9-10-22(18-28-19)27-17-24(30(2)29-27)16-25(31)15-23-13-20(11-12-32-3)14-26(23)21-7-5-4-6-8-21;1-18-27-16-22(17-28-18)26-15-23(30(2)29-26)14-24(31)13-21-11-19(9-10-32-3)12-25(21)20-7-5-4-6-8-20/h5-11,14,19-20,24,26,30H,12-13,15-18H2,1-4H3;3-12,19-20,23,25,29,37H,13-18,21H2,1-2H3;4-13,20-21,24,26,30H,14-19H2,1-3H3;4-10,17-18,20,23,26H,11-16H2,1-3H3;4-8,15-17,19,21,25H,9-14H2,1-3H3/t24-,26+,30+;23-,25+,29+;24-,26+,30+;20-,23+,26+;19-,21+,25+/m11111/s1.

What are the key properties of 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one has a molecular weight of 2438.16 g/mol, XLogP of 28.19, 49 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,2R,4R)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one is sourced from PubChem (CID 158381725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).