N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide

C131H161N15O11 — CID 160671464

About N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide

N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide (PubChem CID 160671464) has the molecular formula C131H161N15O11 and a molecular weight of 2121.82 g/mol. Its IUPAC name is N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
• PubChem CID: 160671464
• Molecular Formula: C131H161N15O11
• Molecular Weight: 2121.82 g/mol
• Exact Mass: 2120.25
• IUPAC Name: N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
• SMILES: C.C.C.CCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.CNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3CC(CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.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)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1
• InChI: InChI=1S/C36H41N3O3.C32H36N4O3.C31H37N5O2.C29H35N3O3.3CH4/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;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;1-21-14-24(10-12-32-21)29-16-23(11-13-38-4)15-25(29)17-28(37)18-30-22(2)31(26-19-33-35(3)20-26)34-36(30)27-8-6-5-7-9-27;1-30-29(34)23-11-9-22(10-12-23)28-19-25(32(2)31-28)18-26(33)17-24-15-20(13-14-35-3)16-27(24)21-7-5-4-6-8-21;;;/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);3-12,19-20,23,25,29,37H,13-18,21H2,1-2H3;5-10,12,14,19-20,23,25,29H,11,13,15-18H2,1-4H3;4-12,19-20,24,27H,13-18H2,1-3H3,(H,30,34);3*1H4/t26-,30+,33+;2*23-,25+,29+;20?,24-,27-;;;/m1110.../s1
• InChIKey: RMZDAJLCZYRQCP-HLNRIEDZSA-N
• XLogP: 24.76
• TPSA: 311.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 43
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.82
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The IUPAC name of N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide (CID 160671464) is N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide.

What is the SMILES notation for N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The canonical SMILES for N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide is C.C.C.CCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.CNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3CC(CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.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)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1.

What is the InChIKey of N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The InChIKey is RMZDAJLCZYRQCP-HLNRIEDZSA-N. The full InChI is InChI=1S/C36H41N3O3.C32H36N4O3.C31H37N5O2.C29H35N3O3.3CH4/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;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;1-21-14-24(10-12-32-21)29-16-23(11-13-38-4)15-25(29)17-28(37)18-30-22(2)31(26-19-33-35(3)20-26)34-36(30)27-8-6-5-7-9-27;1-30-29(34)23-11-9-22(10-12-23)28-19-25(32(2)31-28)18-26(33)17-24-15-20(13-14-35-3)16-27(24)21-7-5-4-6-8-21;;;/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);3-12,19-20,23,25,29,37H,13-18,21H2,1-2H3;5-10,12,14,19-20,23,25,29H,11,13,15-18H2,1-4H3;4-12,19-20,24,27H,13-18H2,1-3H3,(H,30,34);3*1H4/t26-,30+,33+;2*23-,25+,29+;20?,24-,27-;;;/m1110.../s1.

What are the key properties of N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide has a molecular weight of 2121.82 g/mol, XLogP of 24.76, 43 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;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;methane;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 160671464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).