3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide

C24H29N4O2+ — CID 7397387

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 7397387) has the molecular formula C24H29N4O2+ and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
• PubChem CID: 7397387
• Molecular Formula: C24H29N4O2+
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.23
• IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)NCC[NH+]3CCCC3)n(-c3ccc(C)cc3)n2)c1
• InChI: InChI=1S/C24H28N4O2/c1-18-8-10-20(11-9-18)28-23(24(29)25-12-15-27-13-3-4-14-27)17-22(26-28)19-6-5-7-21(16-19)30-2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,29)/p+1
• InChIKey: ARDHLHVEJJHXSV-UHFFFAOYSA-O
• XLogP: 2.26
• TPSA: 60.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?

The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide (CID 7397387) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCC[NH+]3CCCC3)n(-c3ccc(C)cc3)n2)c1.

What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?

The InChIKey is ARDHLHVEJJHXSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O2/c1-18-8-10-20(11-9-18)28-23(24(29)25-12-15-27-13-3-4-14-27)17-22(26-28)19-6-5-7-21(16-19)30-2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,29)/p+1.

What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7397387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).