3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C19H19ClN4O — CID 121443459

About 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443459) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 121443459
• Molecular Formula: C19H19ClN4O
• Molecular Weight: 354.84 g/mol
• Exact Mass: 354.12
• IUPAC Name: 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC4=C(C4)C3)c2C1
• InChI: InChI=1S/C19H19ClN4O/c20-14-2-1-3-15(9-14)21-19(25)24-5-4-17-16(10-24)18(23-22-17)13-7-11-6-12(11)8-13/h1-3,9,13H,4-8,10H2,(H,21,25)(H,22,23)
• InChIKey: CAZGTOGNBHXWQT-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.84
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443459) is 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC4=C(C4)C3)c2C1.

What is the InChIKey of 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is CAZGTOGNBHXWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-2-1-3-15(9-14)21-19(25)24-5-4-17-16(10-24)18(23-22-17)13-7-11-6-12(11)8-13/h1-3,9,13H,4-8,10H2,(H,21,25)(H,22,23).

What are the key properties of 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).