(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H26N4O3 — CID 136680211

About (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136680211) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 136680211
• Molecular Formula: C28H26N4O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.20
• IUPAC Name: (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccccc2)=C[C@@H]3c2cccc(OC)c2)cc1
• InChI: InChI=1S/C28H26N4O3/c1-3-35-22-14-12-21(13-15-22)30-28(33)24-18-29-32-26(20-10-7-11-23(16-20)34-2)17-25(31-27(24)32)19-8-5-4-6-9-19/h4-18,26,31H,3H2,1-2H3,(H,30,33)/t26-/m1/s1
• InChIKey: VEFGXDVSACNMFA-AREMUKBSSA-N
• XLogP: 5.60
• TPSA: 77.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136680211) is (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccccc2)=C[C@@H]3c2cccc(OC)c2)cc1.

What is the InChIKey of (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VEFGXDVSACNMFA-AREMUKBSSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-3-35-22-14-12-21(13-15-22)30-28(33)24-18-29-32-26(20-10-7-11-23(16-20)34-2)17-25(31-27(24)32)19-8-5-4-6-9-19/h4-18,26,31H,3H2,1-2H3,(H,30,33)/t26-/m1/s1.

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

(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136680211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).