1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

C90H97N12O10+ — CID 158633791

About 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 158633791) has the molecular formula C90H97N12O10+ and a molecular weight of 1506.84 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
• PubChem CID: 158633791
• Molecular Formula: C90H97N12O10+
• Molecular Weight: 1506.84 g/mol
• Exact Mass: 1505.74
• IUPAC Name: 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
• SMILES: CC(C)n1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CCCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.O=C(COc1ccccc1)N1CCc2c(c(-c3ccccc3)[nH][n+]2CCO)C1.O=C(COc1ccccc1)N1CCc2nn(CCO)c(-c3ccccc3)c2C1
• InChI: InChI=1S/2C23H25N3O2.2C22H23N3O3/c1-17(2)26-23(18-9-5-3-6-10-18)20-15-25(14-13-21(20)24-26)22(27)16-28-19-11-7-4-8-12-19;1-2-14-26-21-13-15-25(22(27)17-28-19-11-7-4-8-12-19)16-20(21)23(24-26)18-9-5-3-6-10-18;26-14-13-25-20-11-12-24(21(27)16-28-18-9-5-2-6-10-18)15-19(20)22(23-25)17-7-3-1-4-8-17;26-14-13-25-22(17-7-3-1-4-8-17)19-15-24(12-11-20(19)23-25)21(27)16-28-18-9-5-2-6-10-18/h3-12,17H,13-16H2,1-2H3;3-12H,2,13-17H2,1H3;2*1-10,26H,11-16H2/p+1
• InChIKey: XETUBAJMDGFTCC-UHFFFAOYSA-O
• XLogP: 12.45
• TPSA: 231.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.84
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?

The IUPAC name of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 158633791) is 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone.

What is the SMILES notation for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?

The canonical SMILES for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(C)n1nc2c(c1-c1ccccc1)CN(C(=O)COc1ccccc1)CC2.CCCn1nc(-c2ccccc2)c2c1CCN(C(=O)COc1ccccc1)C2.O=C(COc1ccccc1)N1CCc2c(c(-c3ccccc3)[nH][n+]2CCO)C1.O=C(COc1ccccc1)N1CCc2nn(CCO)c(-c3ccccc3)c2C1.

What is the InChIKey of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?

The InChIKey is XETUBAJMDGFTCC-UHFFFAOYSA-O. The full InChI is InChI=1S/2C23H25N3O2.2C22H23N3O3/c1-17(2)26-23(18-9-5-3-6-10-18)20-15-25(14-13-21(20)24-26)22(27)16-28-19-11-7-4-8-12-19;1-2-14-26-21-13-15-25(22(27)17-28-19-11-7-4-8-12-19)16-20(21)23(24-26)18-9-5-3-6-10-18;26-14-13-25-20-11-12-24(21(27)16-28-18-9-5-2-6-10-18)15-19(20)22(23-25)17-7-3-1-4-8-17;26-14-13-25-22(17-7-3-1-4-8-17)19-15-24(12-11-20(19)23-25)21(27)16-28-18-9-5-2-6-10-18/h3-12,17H,13-16H2,1-2H3;3-12H,2,13-17H2,1H3;2*1-10,26H,11-16H2/p+1.

What are the key properties of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone?

1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 1506.84 g/mol, XLogP of 12.45, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 158633791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).