N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide

C25H23Cl2N5O — CID 53086050

About N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (PubChem CID 53086050) has the molecular formula C25H23Cl2N5O and a molecular weight of 480.40 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
• PubChem CID: 53086050
• Molecular Formula: C25H23Cl2N5O
• Molecular Weight: 480.40 g/mol
• Exact Mass: 479.13
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1Cl)C1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1
• InChI: InChI=1S/C25H23Cl2N5O/c26-20-9-3-1-6-17(20)15-29-25(33)18-7-5-12-31(16-18)24-23-14-22(30-32(23)13-11-28-24)19-8-2-4-10-21(19)27/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2,(H,29,33)
• InChIKey: RBSTYRAWRTYTQI-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.40
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (CID 53086050) is N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?

The InChIKey is RBSTYRAWRTYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O/c26-20-9-3-1-6-17(20)15-29-25(33)18-7-5-12-31(16-18)24-23-14-22(30-32(23)13-11-28-24)19-8-2-4-10-21(19)27/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2,(H,29,33).

What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?

N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide has a molecular weight of 480.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).