N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide

C80H68N20O10S4 — CID 159624094

About N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide

N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide (PubChem CID 159624094) has the molecular formula C80H68N20O10S4 and a molecular weight of 1597.82 g/mol. Its IUPAC name is N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide.

Molecular Properties

• Compound Name: N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
• PubChem CID: 159624094
• Molecular Formula: C80H68N20O10S4
• Molecular Weight: 1597.82 g/mol
• Exact Mass: 1596.43
• IUPAC Name: N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
• SMILES: O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cc[n+]([O-])cc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccncc1
• InChI: InChI=1S/2C20H17N5O3S.2C20H17N5O2S/c26-24-10-4-7-16(13-24)29(27,28)23-19-11-18(15-5-2-1-3-6-15)22-20-17(14-8-9-14)12-21-25(19)20;26-24-10-8-16(9-11-24)29(27,28)23-19-12-18(15-4-2-1-3-5-15)22-20-17(14-6-7-14)13-21-25(19)20;26-28(27,16-7-4-10-21-12-16)24-19-11-18(15-5-2-1-3-6-15)23-20-17(14-8-9-14)13-22-25(19)20;26-28(27,16-8-10-21-11-9-16)24-19-12-18(15-4-2-1-3-5-15)23-20-17(14-6-7-14)13-22-25(19)20/h1-7,10-14,23H,8-9H2;1-5,8-14,23H,6-7H2;1-7,10-14,24H,8-9H2;1-5,8-14,24H,6-7H2
• InChIKey: MOGNCPIUIHAMNK-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 385.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.82
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?

The IUPAC name of N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide (CID 159624094) is N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide.

What is the SMILES notation for N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?

The canonical SMILES for N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cc[n+]([O-])cc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccncc1.

What is the InChIKey of N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?

The InChIKey is MOGNCPIUIHAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N5O3S.2C20H17N5O2S/c26-24-10-4-7-16(13-24)29(27,28)23-19-11-18(15-5-2-1-3-6-15)22-20-17(14-8-9-14)12-21-25(19)20;26-24-10-8-16(9-11-24)29(27,28)23-19-12-18(15-4-2-1-3-5-15)22-20-17(14-6-7-14)13-21-25(19)20;26-28(27,16-7-4-10-21-12-16)24-19-11-18(15-5-2-1-3-6-15)23-20-17(14-8-9-14)13-22-25(19)20;26-28(27,16-8-10-21-11-9-16)24-19-12-18(15-4-2-1-3-5-15)23-20-17(14-6-7-14)13-22-25(19)20/h1-7,10-14,23H,8-9H2;1-5,8-14,23H,6-7H2;1-7,10-14,24H,8-9H2;1-5,8-14,24H,6-7H2.

What are the key properties of N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide?

N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide has a molecular weight of 1597.82 g/mol, XLogP of 12.35, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 159624094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).