3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

C23H23Cl2N5O2 — CID 112799172

About 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 112799172) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
• PubChem CID: 112799172
• Molecular Formula: C23H23Cl2N5O2
• Molecular Weight: 472.38 g/mol
• Exact Mass: 471.12
• IUPAC Name: 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
• SMILES: O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCCN(C(=O)Nc2ccccc2)C1
• InChI: InChI=1S/C23H23Cl2N5O2/c24-19-10-4-6-16(21(19)25)15-30-20(11-12-26-30)28-22(31)17-7-5-13-29(14-17)23(32)27-18-8-2-1-3-9-18/h1-4,6,8-12,17H,5,7,13-15H2,(H,27,32)(H,28,31)
• InChIKey: TUCUXSVXCUOPJS-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.38
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?

The IUPAC name of 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 112799172) is 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?

The canonical SMILES for 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCCN(C(=O)Nc2ccccc2)C1.

What is the InChIKey of 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?

The InChIKey is TUCUXSVXCUOPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c24-19-10-4-6-16(21(19)25)15-30-20(11-12-26-30)28-22(31)17-7-5-13-29(14-17)23(32)27-18-8-2-1-3-9-18/h1-4,6,8-12,17H,5,7,13-15H2,(H,27,32)(H,28,31).

What are the key properties of 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?

3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 472.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 112799172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).