methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

C88H98F3N17O12 — CID 158677676

About methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 158677676) has the molecular formula C88H98F3N17O12 and a molecular weight of 1642.85 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
• PubChem CID: 158677676
• Molecular Formula: C88H98F3N17O12
• Molecular Weight: 1642.85 g/mol
• Exact Mass: 1641.75
• IUPAC Name: methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
• SMILES: COC(=O)c1c(C(F)(F)F)nn2c1NCC2.COC(=O)c1c(C)nn2c1N(Cc1ccc(C)cc1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2ccc(C)cc2)CC3)cc1.Cc1ccc(CN2CCn3nc(C)c(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1.Cc1ccc(CN2CCn3nc(C)c(C(=O)O)c32)cc1
• InChI: InChI=1S/C25H28N4O3.C24H26N4O3.C16H19N3O2.C15H17N3O2.C8H8F3N3O2/c1-16-5-7-19(8-6-16)15-28-13-14-29-24(28)22(18(3)27-29)23(30)26-17(2)20-9-11-21(12-10-20)25(31)32-4;1-15-4-6-18(7-5-15)14-27-12-13-28-23(27)21(17(3)26-28)22(29)25-16(2)19-8-10-20(11-9-19)24(30)31;1-11-4-6-13(7-5-11)10-18-8-9-19-15(18)14(12(2)17-19)16(20)21-3;1-10-3-5-12(6-4-10)9-17-7-8-18-14(17)13(15(19)20)11(2)16-18;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h5-12,17H,13-15H2,1-4H3,(H,26,30);4-11,16H,12-14H2,1-3H3,(H,25,29)(H,30,31);4-7H,8-10H2,1-3H3;3-6H,7-9H2,1-2H3,(H,19,20);12H,2-3H2,1H3/t17-;16-;;;/m00.../s1
• InChIKey: IESMSUPFYAEVBB-ZIZCQBRSSA-N
• XLogP: 13.15
• TPSA: 325.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.85
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The IUPAC name of methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (CID 158677676) is methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.

What is the SMILES notation for methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The canonical SMILES for methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c1NCC2.COC(=O)c1c(C)nn2c1N(Cc1ccc(C)cc1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2ccc(C)cc2)CC3)cc1.Cc1ccc(CN2CCn3nc(C)c(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1.Cc1ccc(CN2CCn3nc(C)c(C(=O)O)c32)cc1.

What is the InChIKey of methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The InChIKey is IESMSUPFYAEVBB-ZIZCQBRSSA-N. The full InChI is InChI=1S/C25H28N4O3.C24H26N4O3.C16H19N3O2.C15H17N3O2.C8H8F3N3O2/c1-16-5-7-19(8-6-16)15-28-13-14-29-24(28)22(18(3)27-29)23(30)26-17(2)20-9-11-21(12-10-20)25(31)32-4;1-15-4-6-18(7-5-15)14-27-12-13-28-23(27)21(17(3)26-28)22(29)25-16(2)19-8-10-20(11-9-19)24(30)31;1-11-4-6-13(7-5-11)10-18-8-9-19-15(18)14(12(2)17-19)16(20)21-3;1-10-3-5-12(6-4-10)9-17-7-8-18-14(17)13(15(19)20)11(2)16-18;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h5-12,17H,13-15H2,1-4H3,(H,26,30);4-11,16H,12-14H2,1-3H3,(H,25,29)(H,30,31);4-7H,8-10H2,1-3H3;3-6H,7-9H2,1-2H3,(H,19,20);12H,2-3H2,1H3/t17-;16-;;;/m00.../s1.

What are the key properties of methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 1642.85 g/mol, XLogP of 13.15, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 158677676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).