1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C24H26Cl2N4O2 — CID 42755549

About 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 42755549) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
• PubChem CID: 42755549
• Molecular Formula: C24H26Cl2N4O2
• Molecular Weight: 473.40 g/mol
• Exact Mass: 472.14
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(Cl)c(Cl)c3)n2)c1
• InChI: InChI=1S/C24H26Cl2N4O2/c1-32-19-7-5-6-17(14-19)22-16-23(24(31)27-10-13-29-11-3-2-4-12-29)30(28-22)18-8-9-20(25)21(26)15-18/h5-9,14-16H,2-4,10-13H2,1H3,(H,27,31)
• InChIKey: LVMDJJWZXPJKMN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.40
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?

The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 42755549) is 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?

The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(Cl)c(Cl)c3)n2)c1.

What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?

The InChIKey is LVMDJJWZXPJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-32-19-7-5-6-17(14-19)22-16-23(24(31)27-10-13-29-11-3-2-4-12-29)30(28-22)18-8-9-20(25)21(26)15-18/h5-9,14-16H,2-4,10-13H2,1H3,(H,27,31).

What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?

1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).