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

C92H94F15N17O12 — CID 158152008

About methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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 158152008) has the molecular formula C92H94F15N17O12 and a molecular weight of 1914.84 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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: 158152008
• Molecular Formula: C92H94F15N17O12
• Molecular Weight: 1914.84 g/mol
• Exact Mass: 1913.70
• IUPAC Name: methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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(Cc1cc(C)cc(C(F)(F)F)c1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2cc(C)cc(C(F)(F)F)c2)CC3)cc1.Cc1cc(CN2CCn3nc(C)c(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc(C(F)(F)F)c1.Cc1cc(CN2CCn3nc(C)c(C(=O)O)c32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H27F3N4O3.C25H25F3N4O3.C17H18F3N3O2.C16H16F3N3O2.C8H8F3N3O2/c1-15-11-18(13-21(12-15)26(27,28)29)14-32-9-10-33-24(32)22(17(3)31-33)23(34)30-16(2)19-5-7-20(8-6-19)25(35)36-4;1-14-10-17(12-20(11-14)25(26,27)28)13-31-8-9-32-23(31)21(16(3)30-32)22(33)29-15(2)18-4-6-19(7-5-18)24(34)35;1-10-6-12(8-13(7-10)17(18,19)20)9-22-4-5-23-15(22)14(11(2)21-23)16(24)25-3;1-9-5-11(7-12(6-9)16(17,18)19)8-21-3-4-22-14(21)13(15(23)24)10(2)20-22;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h5-8,11-13,16H,9-10,14H2,1-4H3,(H,30,34);4-7,10-12,15H,8-9,13H2,1-3H3,(H,29,33)(H,34,35);6-8H,4-5,9H2,1-3H3;5-7H,3-4,8H2,1-2H3,(H,23,24);12H,2-3H2,1H3/t16-;15-;;;/m00.../s1
• InChIKey: FVFMFGAXBMPDEV-RQLUZOEHSA-N
• XLogP: 17.22
• TPSA: 325.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.84
LogP ≤ 5	17.22
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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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 158152008) is methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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(Cc1cc(C)cc(C(F)(F)F)c1)CC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn3c2N(Cc2cc(C)cc(C(F)(F)F)c2)CC3)cc1.Cc1cc(CN2CCn3nc(C)c(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc(C(F)(F)F)c1.Cc1cc(CN2CCn3nc(C)c(C(=O)O)c32)cc(C(F)(F)F)c1.

What is the InChIKey of methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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 FVFMFGAXBMPDEV-RQLUZOEHSA-N. The full InChI is InChI=1S/C26H27F3N4O3.C25H25F3N4O3.C17H18F3N3O2.C16H16F3N3O2.C8H8F3N3O2/c1-15-11-18(13-21(12-15)26(27,28)29)14-32-9-10-33-24(32)22(17(3)31-33)23(34)30-16(2)19-5-7-20(8-6-19)25(35)36-4;1-14-10-17(12-20(11-14)25(26,27)28)13-31-8-9-32-23(31)21(16(3)30-32)22(33)29-15(2)18-4-6-19(7-5-18)24(34)35;1-10-6-12(8-13(7-10)17(18,19)20)9-22-4-5-23-15(22)14(11(2)21-23)16(24)25-3;1-9-5-11(7-12(6-9)16(17,18)19)8-21-3-4-22-14(21)13(15(23)24)10(2)20-22;1-16-7(15)4-5(8(9,10)11)13-14-3-2-12-6(4)14/h5-8,11-13,16H,9-10,14H2,1-4H3,(H,30,34);4-7,10-12,15H,8-9,13H2,1-3H3,(H,29,33)(H,34,35);6-8H,4-5,9H2,1-3H3;5-7H,3-4,8H2,1-2H3,(H,23,24);12H,2-3H2,1H3/t16-;15-;;;/m00.../s1.

What are the key properties of methyl 4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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 1914.84 g/mol, XLogP of 17.22, 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-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]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 158152008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).