2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

C80H70Cl5F3N14O6 — CID 160750780

About 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone (PubChem CID 160750780) has the molecular formula C80H70Cl5F3N14O6 and a molecular weight of 1557.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
• PubChem CID: 160750780
• Molecular Formula: C80H70Cl5F3N14O6
• Molecular Weight: 1557.79 g/mol
• Exact Mass: 1554.40
• IUPAC Name: 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
• SMILES: CC(Oc1ccccc1Cl)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cccc(C(F)(F)F)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cc(Cl)ccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C21H20ClN3O2.C21H18F3N3O2.2C19H16Cl2N4O/c1-14(27-19-10-6-5-9-17(19)22)21(26)25-12-11-18-16(13-25)20(24-23-18)15-7-3-2-4-8-15;22-21(23,24)15-7-4-8-16(11-15)29-13-19(28)27-10-9-18-17(12-27)20(26-25-18)14-5-2-1-3-6-14;20-14-7-4-8-16(17(14)21)22-19(26)25-10-9-15-13(11-25)18(24-23-15)12-5-2-1-3-6-12;20-13-6-7-15(21)17(10-13)22-19(26)25-9-8-16-14(11-25)18(24-23-16)12-4-2-1-3-5-12/h2-10,14H,11-13H2,1H3,(H,23,24);1-8,11H,9-10,12-13H2,(H,25,26);1-8H,9-11H2,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24)
• InChIKey: RWUDBMYJKVOGOL-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 238.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.79
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?

The IUPAC name of 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone (CID 160750780) is 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone.

What is the SMILES notation for 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?

The canonical SMILES for 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone is CC(Oc1ccccc1Cl)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1cccc(C(F)(F)F)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cc(Cl)ccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?

The InChIKey is RWUDBMYJKVOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2.C21H18F3N3O2.2C19H16Cl2N4O/c1-14(27-19-10-6-5-9-17(19)22)21(26)25-12-11-18-16(13-25)20(24-23-18)15-7-3-2-4-8-15;22-21(23,24)15-7-4-8-16(11-15)29-13-19(28)27-10-9-18-17(12-27)20(26-25-18)14-5-2-1-3-6-14;20-14-7-4-8-16(17(14)21)22-19(26)25-10-9-15-13(11-25)18(24-23-15)12-5-2-1-3-6-12;20-13-6-7-15(21)17(10-13)22-19(26)25-9-8-16-14(11-25)18(24-23-16)12-4-2-1-3-5-12/h2-10,14H,11-13H2,1H3,(H,23,24);1-8,11H,9-10,12-13H2,(H,25,26);1-8H,9-11H2,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24).

What are the key properties of 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?

2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 1557.79 g/mol, XLogP of 18.09, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;N-(2,3-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2,5-dichlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 160750780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).