N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C36H40Cl2N8O2 — CID 159710417

About N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159710417) has the molecular formula C36H40Cl2N8O2 and a molecular weight of 687.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159710417
• Molecular Formula: C36H40Cl2N8O2
• Molecular Weight: 687.68 g/mol
• Exact Mass: 686.27
• IUPAC Name: N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CCC1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC=CC3)c2C1
• InChI: InChI=1S/C18H21ClN4O.C18H19ClN4O/c1-18(7-3-8-18)16-14-11-23(9-6-15(14)21-22-16)17(24)20-13-5-2-4-12(19)10-13;19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,20,24)(H,21,22);1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,24)(H,21,22)
• InChIKey: MYTMBCJSOUAOBP-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 122.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.68
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159710417) is N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CCC1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC=CC3)c2C1.

What is the InChIKey of N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is MYTMBCJSOUAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O.C18H19ClN4O/c1-18(7-3-8-18)16-14-11-23(9-6-15(14)21-22-16)17(24)20-13-5-2-4-12(19)10-13;19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12/h2,4-5,10H,3,6-9,11H2,1H3,(H,20,24)(H,21,22);1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,24)(H,21,22).

What are the key properties of N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 687.68 g/mol, XLogP of 8.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159710417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).