4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

C84H82Cl8F3N17O12 — CID 158302942

About 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 158302942) has the molecular formula C84H82Cl8F3N17O12 and a molecular weight of 1862.30 g/mol. Its IUPAC name is 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

• Compound Name: 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
• PubChem CID: 158302942
• Molecular Formula: C84H82Cl8F3N17O12
• Molecular Weight: 1862.30 g/mol
• Exact Mass: 1857.38
• IUPAC Name: 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;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(Cc1cc(Cl)cc(Cl)c1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2cc(Cl)cc(Cl)c2)CC3)cc1.Cc1nn2c(c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1)N(Cc1cc(Cl)cc(Cl)c1)CC2.Cc1nn2c(c1C(=O)O)N(Cc1cc(Cl)cc(Cl)c1)CC2
• InChI: InChI=1S/C24H24Cl2N4O3.C23H22Cl2N4O3.C15H15Cl2N3O2.C14H13Cl2N3O2.C8H8F3N3O2/c1-14(17-4-6-18(7-5-17)24(32)33-3)27-22(31)21-15(2)28-30-9-8-29(23(21)30)13-16-10-19(25)12-20(26)11-16;1-13(16-3-5-17(6-4-16)23(31)32)26-21(30)20-14(2)27-29-8-7-28(22(20)29)12-15-9-18(24)11-19(25)10-15;1-9-13(15(21)22-2)14-19(3-4-20(14)18-9)8-10-5-11(16)7-12(17)6-10;1-8-12(14(20)21)13-18(2-3-19(13)17-8)7-9-4-10(15)6-11(16)5-9;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,27,31);3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,30)(H,31,32);5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3,(H,20,21);12H,2-3H2,1H3/t14-;13-;;;/m00.../s1
• InChIKey: GMSIKIRDDBIOBN-WZZOUBBWSA-N
• XLogP: 17.14
• TPSA: 325.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.30
LogP ≤ 5	17.14
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 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The IUPAC name of 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (CID 158302942) is 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.

What is the SMILES notation for 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The canonical SMILES for 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;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(Cc1cc(Cl)cc(Cl)c1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2cc(Cl)cc(Cl)c2)CC3)cc1.Cc1nn2c(c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1)N(Cc1cc(Cl)cc(Cl)c1)CC2.Cc1nn2c(c1C(=O)O)N(Cc1cc(Cl)cc(Cl)c1)CC2.

What is the InChIKey of 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

The InChIKey is GMSIKIRDDBIOBN-WZZOUBBWSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3.C23H22Cl2N4O3.C15H15Cl2N3O2.C14H13Cl2N3O2.C8H8F3N3O2/c1-14(17-4-6-18(7-5-17)24(32)33-3)27-22(31)21-15(2)28-30-9-8-29(23(21)30)13-16-10-19(25)12-20(26)11-16;1-13(16-3-5-17(6-4-16)23(31)32)26-21(30)20-14(2)27-29-8-7-28(22(20)29)12-15-9-18(24)11-19(25)10-15;1-9-13(15(21)22-2)14-19(3-4-20(14)18-9)8-10-5-11(16)7-12(17)6-10;1-8-12(14(20)21)13-18(2-3-19(13)17-8)7-9-4-10(15)6-11(16)5-9;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,27,31);3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,30)(H,31,32);5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3,(H,20,21);12H,2-3H2,1H3/t14-;13-;;;/m00.../s1.

What are the key properties of 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?

4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 1862.30 g/mol, XLogP of 17.14, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 4-[(1S)-1-[[1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 1-[(3,5-dichlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 158302942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).