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

C27H23ClN4O2 — CID 135548726

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

5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135548726) has the molecular formula C27H23ClN4O2 and a molecular weight of 470.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135548726
• Molecular Formula: C27H23ClN4O2
• Molecular Weight: 470.96 g/mol
• Exact Mass: 470.15
• IUPAC Name: 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(Cl)cc2)=CC3c2ccccc2)cc1
• InChI: InChI=1S/C27H23ClN4O2/c1-2-34-22-14-12-21(13-15-22)30-27(33)23-17-29-32-25(19-6-4-3-5-7-19)16-24(31-26(23)32)18-8-10-20(28)11-9-18/h3-17,25,31H,2H2,1H3,(H,30,33)
• InChIKey: RVOVLWRKINUJPF-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 68.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.96
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135548726) is 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(Cl)cc2)=CC3c2ccccc2)cc1.

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

The InChIKey is RVOVLWRKINUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O2/c1-2-34-22-14-12-21(13-15-22)30-27(33)23-17-29-32-25(19-6-4-3-5-7-19)16-24(31-26(23)32)18-8-10-20(28)11-9-18/h3-17,25,31H,2H2,1H3,(H,30,33).

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

5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135548726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).