7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H28N4O4 — CID 135551174

About 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135551174) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135551174
• Molecular Formula: C29H28N4O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.21
• IUPAC Name: 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cccc(C2=CC(c3cccc(OC)c3OC)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)c1
• InChI: InChI=1S/C29H28N4O4/c1-18-8-5-10-20(14-18)31-29(34)23-17-30-33-25(22-12-7-13-26(36-3)27(22)37-4)16-24(32-28(23)33)19-9-6-11-21(15-19)35-2/h5-17,25,32H,1-4H3,(H,31,34)
• InChIKey: JEXNDELILQDYCK-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 86.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135551174) is 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(C2=CC(c3cccc(OC)c3OC)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)c1.

What is the InChIKey of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JEXNDELILQDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-18-8-5-10-20(14-18)31-29(34)23-17-30-33-25(22-12-7-13-26(36-3)27(22)37-4)16-24(32-28(23)33)19-9-6-11-21(15-19)35-2/h5-17,25,32H,1-4H3,(H,31,34).

What are the key properties of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135551174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).