methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C93H84F27N17O12 — CID 157224617

About methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 157224617) has the molecular formula C93H84F27N17O12 and a molecular weight of 2144.75 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 157224617
• Molecular Formula: C93H84F27N17O12
• Molecular Weight: 2144.75 g/mol
• Exact Mass: 2143.61
• IUPAC Name: methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2.COC(=O)c1c(C(F)(F)F)nn2c1NCCC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn3c2N(Cc2ccc(C(F)(F)F)cc2)CCC3)cc1.C[C@H](NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2)c1ccc(C(=O)O)cc1.O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2
• InChI: InChI=1S/C26H24F6N4O3.C25H22F6N4O3.C17H15F6N3O2.C16H13F6N3O2.C9H10F3N3O2/c1-15(17-6-8-18(9-7-17)24(38)39-2)33-22(37)20-21(26(30,31)32)34-36-13-3-12-35(23(20)36)14-16-4-10-19(11-5-16)25(27,28)29;1-14(16-5-7-17(8-6-16)23(37)38)32-21(36)19-20(25(29,30)31)33-35-12-2-11-34(22(19)35)13-15-3-9-18(10-4-15)24(26,27)28;1-28-15(27)12-13(17(21,22)23)24-26-8-2-7-25(14(12)26)9-10-3-5-11(6-4-10)16(18,19)20;17-15(18,19)10-4-2-9(3-5-10)8-24-6-1-7-25-13(24)11(14(26)27)12(23-25)16(20,21)22;1-17-8(16)5-6(9(10,11)12)14-15-4-2-3-13-7(5)15/h4-11,15H,3,12-14H2,1-2H3,(H,33,37);3-10,14H,2,11-13H2,1H3,(H,32,36)(H,37,38);3-6H,2,7-9H2,1H3;2-5H,1,6-8H2,(H,26,27);13H,2-4H2,1H3/t15-;14-;;;/m00.../s1
• InChIKey: ATJZXGLYEAMOIP-BWEDFYKISA-N
• XLogP: 20.78
• TPSA: 325.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.75
LogP ≤ 5	20.78
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 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 157224617) is methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2.COC(=O)c1c(C(F)(F)F)nn2c1NCCC2.COC(=O)c1ccc([C@H](C)NC(=O)c2c(C(F)(F)F)nn3c2N(Cc2ccc(C(F)(F)F)cc2)CCC3)cc1.C[C@H](NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2)c1ccc(C(=O)O)cc1.O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2.

What is the InChIKey of methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is ATJZXGLYEAMOIP-BWEDFYKISA-N. The full InChI is InChI=1S/C26H24F6N4O3.C25H22F6N4O3.C17H15F6N3O2.C16H13F6N3O2.C9H10F3N3O2/c1-15(17-6-8-18(9-7-17)24(38)39-2)33-22(37)20-21(26(30,31)32)34-36-13-3-12-35(23(20)36)14-16-4-10-19(11-5-16)25(27,28)29;1-14(16-5-7-17(8-6-16)23(37)38)32-21(36)19-20(25(29,30)31)33-35-12-2-11-34(22(19)35)13-15-3-9-18(10-4-15)24(26,27)28;1-28-15(27)12-13(17(21,22)23)24-26-8-2-7-25(14(12)26)9-10-3-5-11(6-4-10)16(18,19)20;17-15(18,19)10-4-2-9(3-5-10)8-24-6-1-7-25-13(24)11(14(26)27)12(23-25)16(20,21)22;1-17-8(16)5-6(9(10,11)12)14-15-4-2-3-13-7(5)15/h4-11,15H,3,12-14H2,1-2H3,(H,33,37);3-10,14H,2,11-13H2,1H3,(H,32,36)(H,37,38);3-6H,2,7-9H2,1H3;2-5H,1,6-8H2,(H,26,27);13H,2-4H2,1H3/t15-;14-;;;/m00.../s1.

What are the key properties of methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 2144.75 g/mol, XLogP of 20.78, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoate;methyl 2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-[(1S)-1-[[2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]benzoic acid;2-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 157224617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).