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

C58H51Cl5N12O3 — CID 157432966

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

N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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 (PubChem CID 157432966) has the molecular formula C58H51Cl5N12O3 and a molecular weight of 1141.39 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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
• PubChem CID: 157432966
• Molecular Formula: C58H51Cl5N12O3
• Molecular Weight: 1141.39 g/mol
• Exact Mass: 1138.26
• IUPAC Name: N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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
• SMILES: Cc1c(Cl)cccc1NC(=O)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/C20H19ClN4O.2C19H16Cl2N4O/c1-13-16(21)8-5-9-17(13)22-20(26)25-11-10-18-15(12-25)19(24-23-18)14-6-3-2-4-7-14;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/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24);1-8H,9-11H2,(H,22,26)(H,23,24);1-7,10H,8-9,11H2,(H,22,26)(H,23,24)
• InChIKey: BQTNEKIDLQYEID-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 183.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.39
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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 (CID 157432966) is N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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.

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

The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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 is Cc1c(Cl)cccc1NC(=O)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 N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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?

The InChIKey is BQTNEKIDLQYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O.2C19H16Cl2N4O/c1-13-16(21)8-5-9-17(13)22-20(26)25-11-10-18-15(12-25)19(24-23-18)14-6-3-2-4-7-14;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/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24);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 N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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?

N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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 has a molecular weight of 1141.39 g/mol, XLogP of 14.58, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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 is sourced from PubChem (CID 157432966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).