methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate

C88H110N12O18 — CID 161200183

About methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate

methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate (PubChem CID 161200183) has the molecular formula C88H110N12O18 and a molecular weight of 1623.91 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate
• PubChem CID: 161200183
• Molecular Formula: C88H110N12O18
• Molecular Weight: 1623.91 g/mol
• Exact Mass: 1622.81
• IUPAC Name: methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate
• SMILES: CCC(C)Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OC)cc1-c1c(OC)cccc1OC.CCC(CC)Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OC)cc1-c1c(OC)cccc1OC.COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1
• InChI: InChI=1S/C30H38N4O6.2C29H36N4O6/c1-6-20(7-2)19-34-24(28-25(38-3)14-11-15-26(28)39-4)17-23(33-34)30(37)32-22(16-21-12-9-8-10-13-21)29(36)31-18-27(35)40-5;1-18(2)19(3)33-23(27-24(37-4)13-10-14-25(27)38-5)16-22(32-33)29(36)31-21(15-20-11-8-7-9-12-20)28(35)30-17-26(34)39-6;1-6-19(2)18-33-23(27-24(37-3)13-10-14-25(27)38-4)16-22(32-33)29(36)31-21(15-20-11-8-7-9-12-20)28(35)30-17-26(34)39-5/h8-15,17,20,22H,6-7,16,18-19H2,1-5H3,(H,31,36)(H,32,37);7-14,16,18-19,21H,15,17H2,1-6H3,(H,30,35)(H,31,36);7-14,16,19,21H,6,15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t22-;2*19?,21-/m000/s1
• InChIKey: UUWHBTHFMRTWPW-FWIPNURHSA-N
• XLogP: 10.29
• TPSA: 362.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1623.91
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate?

The IUPAC name of methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate (CID 161200183) is methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate.

What is the SMILES notation for methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate?

The canonical SMILES for methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate is CCC(C)Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OC)cc1-c1c(OC)cccc1OC.CCC(CC)Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)OC)cc1-c1c(OC)cccc1OC.COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1.

What is the InChIKey of methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate?

The InChIKey is UUWHBTHFMRTWPW-FWIPNURHSA-N. The full InChI is InChI=1S/C30H38N4O6.2C29H36N4O6/c1-6-20(7-2)19-34-24(28-25(38-3)14-11-15-26(28)39-4)17-23(33-34)30(37)32-22(16-21-12-9-8-10-13-21)29(36)31-18-27(35)40-5;1-18(2)19(3)33-23(27-24(37-4)13-10-14-25(27)38-5)16-22(32-33)29(36)31-21(15-20-11-8-7-9-12-20)28(35)30-17-26(34)39-6;1-6-19(2)18-33-23(27-24(37-3)13-10-14-25(27)38-4)16-22(32-33)29(36)31-21(15-20-11-8-7-9-12-20)28(35)30-17-26(34)39-5/h8-15,17,20,22H,6-7,16,18-19H2,1-5H3,(H,31,36)(H,32,37);7-14,16,18-19,21H,15,17H2,1-6H3,(H,30,35)(H,31,36);7-14,16,19,21H,6,15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t22-;2*19?,21-/m000/s1.

What are the key properties of methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate?

methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate has a molecular weight of 1623.91 g/mol, XLogP of 10.29, 39 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate is sourced from PubChem (CID 161200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).