1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide

C130H139F4N15O7 — CID 157446200

About 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide

1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide (PubChem CID 157446200) has the molecular formula C130H139F4N15O7 and a molecular weight of 2099.63 g/mol. Its IUPAC name is 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide
• PubChem CID: 157446200
• Molecular Formula: C130H139F4N15O7
• Molecular Weight: 2099.63 g/mol
• Exact Mass: 2098.09
• IUPAC Name: 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide
• SMILES: CCNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(-c3ccccc3)n2)cc1.COCCN1CCC(c2ccc(F)c(F)c2)C(CC(=O)Cc2c(C)c(-c3ccn(C)c3)nn2-c2ccccc2)C1.Cc1c(-c2ccn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CNCCC1c1ccc(F)c(F)c1.Cc1c(-c2ccn(C)c2)nn(-c2ccccc2)c1CC(=O)C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1
• InChI: InChI=1S/C35H39N3O3.C34H34N4O.C32H36F2N4O2.C29H30F2N4O/c1-3-36-35(40)28-16-14-27(15-17-28)34-24-31(38(37-34)30-12-8-5-9-13-30)23-32(39)22-29-20-25(18-19-41-2)21-33(29)26-10-6-4-7-11-26;1-25-32(38(30-16-10-5-11-17-30)35-33(25)28-18-19-36(2)23-28)21-31(39)20-29-24-37(22-26-12-6-3-7-13-26)34(29)27-14-8-4-9-15-27;1-22-31(38(26-7-5-4-6-8-26)35-32(22)24-11-13-36(2)20-24)19-27(39)17-25-21-37(15-16-40-3)14-12-28(25)23-9-10-29(33)30(34)18-23;1-19-28(35(23-6-4-3-5-7-23)33-29(19)21-11-13-34(2)18-21)16-24(36)14-22-17-32-12-10-25(22)20-8-9-26(30)27(31)15-20/h4-17,24-25,29,33H,3,18-23H2,1-2H3,(H,36,40);3-19,23,29,34H,20-22,24H2,1-2H3;4-11,13,18,20,25,28H,12,14-17,19,21H2,1-3H3;3-9,11,13,15,18,22,25,32H,10,12,14,16-17H2,1-2H3/t25-,29+,33+;29-,34+;;/m11../s1
• InChIKey: BSGGCGBMRMVTAC-KYOGJOIXSA-N
• XLogP: 24.28
• TPSA: 220.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.63
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide?

The IUPAC name of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide (CID 157446200) is 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide.

What is the SMILES notation for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide?

The canonical SMILES for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide is CCNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)n(-c3ccccc3)n2)cc1.COCCN1CCC(c2ccc(F)c(F)c2)C(CC(=O)Cc2c(C)c(-c3ccn(C)c3)nn2-c2ccccc2)C1.Cc1c(-c2ccn(C)c2)nn(-c2ccccc2)c1CC(=O)CC1CNCCC1c1ccc(F)c(F)c1.Cc1c(-c2ccn(C)c2)nn(-c2ccccc2)c1CC(=O)C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1.

What is the InChIKey of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide?

The InChIKey is BSGGCGBMRMVTAC-KYOGJOIXSA-N. The full InChI is InChI=1S/C35H39N3O3.C34H34N4O.C32H36F2N4O2.C29H30F2N4O/c1-3-36-35(40)28-16-14-27(15-17-28)34-24-31(38(37-34)30-12-8-5-9-13-30)23-32(39)22-29-20-25(18-19-41-2)21-33(29)26-10-6-4-7-11-26;1-25-32(38(30-16-10-5-11-17-30)35-33(25)28-18-19-36(2)23-28)21-31(39)20-29-24-37(22-26-12-6-3-7-13-26)34(29)27-14-8-4-9-15-27;1-22-31(38(26-7-5-4-6-8-26)35-32(22)24-11-13-36(2)20-24)19-27(39)17-25-21-37(15-16-40-3)14-12-28(25)23-9-10-29(33)30(34)18-23;1-19-28(35(23-6-4-3-5-7-23)33-29(19)21-11-13-34(2)18-21)16-24(36)14-22-17-32-12-10-25(22)20-8-9-26(30)27(31)15-20/h4-17,24-25,29,33H,3,18-23H2,1-2H3,(H,36,40);3-19,23,29,34H,20-22,24H2,1-2H3;4-11,13,18,20,25,28H,12,14-17,19,21H2,1-3H3;3-9,11,13,15,18,22,25,32H,10,12,14,16-17H2,1-2H3/t25-,29+,33+;29-,34+;;/m11../s1.

What are the key properties of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide?

1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide has a molecular weight of 2099.63 g/mol, XLogP of 24.28, 38 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide is sourced from PubChem (CID 157446200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).