N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C58H47BrCl3F2N13O3 — CID 159422746

About N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159422746) has the molecular formula C58H47BrCl3F2N13O3 and a molecular weight of 1198.36 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159422746
• Molecular Formula: C58H47BrCl3F2N13O3
• Molecular Weight: 1198.36 g/mol
• Exact Mass: 1195.21
• IUPAC Name: N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: N#Cc1ccc(Cl)cc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(Br)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(F)c(Cl)c1F)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C20H16ClN5O.C19H16BrClN4O.C19H15ClF2N4O/c21-15-7-6-14(11-22)18(10-15)23-20(27)26-9-8-17-16(12-26)19(25-24-17)13-4-2-1-3-5-13;20-15-7-6-13(10-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12;20-16-13(21)6-7-15(17(16)22)23-19(27)26-9-8-14-12(10-26)18(25-24-14)11-4-2-1-3-5-11/h1-7,10H,8-9,12H2,(H,23,27)(H,24,25);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-7H,8-10H2,(H,23,27)(H,24,25)
• InChIKey: LPYSYEIHAGYZLE-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 206.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.36
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159422746) is N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(Br)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1ccc(F)c(Cl)c1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is LPYSYEIHAGYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O.C19H16BrClN4O.C19H15ClF2N4O/c21-15-7-6-14(11-22)18(10-15)23-20(27)26-9-8-17-16(12-26)19(25-24-17)13-4-2-1-3-5-13;20-15-7-6-13(10-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12;20-16-13(21)6-7-15(17(16)22)23-19(27)26-9-8-14-12(10-26)18(25-24-14)11-4-2-1-3-5-11/h1-7,10H,8-9,12H2,(H,23,27)(H,24,25);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-7H,8-10H2,(H,23,27)(H,24,25).

What are the key properties of N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1198.36 g/mol, XLogP of 13.87, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5-chloro-2-cyanophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-2,4-difluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159422746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).