1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C26H27ClN4O3 — CID 5203840

About 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 5203840) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
• PubChem CID: 5203840
• Molecular Formula: C26H27ClN4O3
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
• SMILES: COc1ccc(CCN(C)C(=O)c2cc(-c3cccn3C)nn2-c2cccc(Cl)c2)cc1OC
• InChI: InChI=1S/C26H27ClN4O3/c1-29-13-6-9-22(29)21-17-23(31(28-21)20-8-5-7-19(27)16-20)26(32)30(2)14-12-18-10-11-24(33-3)25(15-18)34-4/h5-11,13,15-17H,12,14H2,1-4H3
• InChIKey: VPCIIJWZJNJVED-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 61.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 5203840) is 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is COc1ccc(CCN(C)C(=O)c2cc(-c3cccn3C)nn2-c2cccc(Cl)c2)cc1OC.

What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The InChIKey is VPCIIJWZJNJVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-29-13-6-9-22(29)21-17-23(31(28-21)20-8-5-7-19(27)16-20)26(32)30(2)14-12-18-10-11-24(33-3)25(15-18)34-4/h5-11,13,15-17H,12,14H2,1-4H3.

What are the key properties of 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 5203840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).