1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C103H111F7N25O5+ — CID 159770583

About 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159770583) has the molecular formula C103H111F7N25O5+ and a molecular weight of 1912.18 g/mol. Its IUPAC name is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 159770583
• Molecular Formula: C103H111F7N25O5+
• Molecular Weight: 1912.18 g/mol
• Exact Mass: 1910.91
• IUPAC Name: 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Cc3ccc(-c4ccccc4F)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4c(C)nn(C)c4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C(F)F)c4)cc3)[nH][n+]2C)C1
• InChI: InChI=1S/C22H22FN3O.C21H21FN4O.C21H26N6O.C20H21F3N6O.C19H20F2N6O/c1-15(27)26-12-11-22-19(14-26)21(24-25(22)2)13-16-7-9-17(10-8-16)18-5-3-4-6-20(18)23;1-14(27)26-11-10-20-19(13-26)21(24-25(20)2)23-18-8-6-15(7-9-18)16-4-3-5-17(22)12-16;1-13-20(14(2)25(4)23-13)16-6-8-17(9-7-16)22-21-18-12-27(15(3)28)11-10-19(18)26(5)24-21;1-12(30)29-9-8-17-16(11-29)19(26-28(17)3)24-14-6-4-13(5-7-14)15-10-27(2)25-18(15)20(21,22)23;1-12(28)26-8-7-17-16(11-26)18(24-25(17)2)23-15-5-3-13(4-6-15)14-9-22-27(10-14)19(20)21/h3-10H,11-14H2,1-2H3;3-9,12H,10-11,13H2,1-2H3,(H,23,24);6-9H,10-12H2,1-5H3,(H,22,24);4-7,10H,8-9,11H2,1-3H3,(H,24,26);3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)/p+1
• InChIKey: SKGJRNHFUFBCMH-UHFFFAOYSA-O
• XLogP: 16.92
• TPSA: 294.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.18
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159770583) is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Cc3ccc(-c4ccccc4F)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4c(C)nn(C)c4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C(F)F)c4)cc3)[nH][n+]2C)C1.

What is the InChIKey of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is SKGJRNHFUFBCMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22FN3O.C21H21FN4O.C21H26N6O.C20H21F3N6O.C19H20F2N6O/c1-15(27)26-12-11-22-19(14-26)21(24-25(22)2)13-16-7-9-17(10-8-16)18-5-3-4-6-20(18)23;1-14(27)26-11-10-20-19(13-26)21(24-25(20)2)23-18-8-6-15(7-9-18)16-4-3-5-17(22)12-16;1-13-20(14(2)25(4)23-13)16-6-8-17(9-7-16)22-21-18-12-27(15(3)28)11-10-19(18)26(5)24-21;1-12(30)29-9-8-17-16(11-29)19(26-28(17)3)24-14-6-4-13(5-7-14)15-10-27(2)25-18(15)20(21,22)23;1-12(28)26-8-7-17-16(11-26)18(24-25(17)2)23-15-5-3-13(4-6-15)14-9-22-27(10-14)19(20)21/h3-10H,11-14H2,1-2H3;3-9,12H,10-11,13H2,1-2H3,(H,23,24);6-9H,10-12H2,1-5H3,(H,22,24);4-7,10H,8-9,11H2,1-3H3,(H,24,26);3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)/p+1.

What are the key properties of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1912.18 g/mol, XLogP of 16.92, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]anilino]-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone;1-[3-[4-(3-fluorophenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(2-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).