7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C31H31N5O5 — CID 135889951

About 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 135889951) has the molecular formula C31H31N5O5 and a molecular weight of 553.62 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
• PubChem CID: 135889951
• Molecular Formula: C31H31N5O5
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.23
• IUPAC Name: 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1cccc(OC)c1OC
• InChI: InChI=1S/C31H31N5O5/c1-18-10-8-11-20(16-18)34-30(37)22-17-32-36-27(21-12-9-15-25(40-4)28(21)41-5)26(19(2)33-29(22)36)31(38)35-23-13-6-7-14-24(23)39-3/h6-17,27,33H,1-5H3,(H,34,37)(H,35,38)
• InChIKey: WCBHEODMNVIFQD-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 115.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The IUPAC name of 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 135889951) is 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The canonical SMILES for 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1cccc(OC)c1OC.

What is the InChIKey of 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

The InChIKey is WCBHEODMNVIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O5/c1-18-10-8-11-20(16-18)34-30(37)22-17-32-36-27(21-12-9-15-25(40-4)28(21)41-5)26(19(2)33-29(22)36)31(38)35-23-13-6-7-14-24(23)39-3/h6-17,27,33H,1-5H3,(H,34,37)(H,35,38).

What are the key properties of 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?

7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 553.62 g/mol, XLogP of 5.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dimethoxyphenyl)-6-N-(2-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 135889951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).