(7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H20N4O4 — CID 135902273

About (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902273) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135902273
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4)cnn32)cc1OC
• InChI: InChI=1S/C21H20N4O4/c1-28-17-9-8-14(10-18(17)29-2)23-21(27)16-11-19(26)24-20-15(12-22-25(16)20)13-6-4-3-5-7-13/h3-10,12,16H,11H2,1-2H3,(H,23,27)(H,24,26)/t16-/m1/s1
• InChIKey: IELYYEHOWZNACH-MRXNPFEDSA-N
• XLogP: 3.09
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902273) is (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4)cnn32)cc1OC.

What is the InChIKey of (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is IELYYEHOWZNACH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-17-9-8-14(10-18(17)29-2)23-21(27)16-11-19(26)24-20-15(12-22-25(16)20)13-6-4-3-5-7-13/h3-10,12,16H,11H2,1-2H3,(H,23,27)(H,24,26)/t16-/m1/s1.

What are the key properties of (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

(7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(3,4-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).