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

C21H19N5O3 — CID 135655230

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

N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135655230) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135655230
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CC(=O)Nc1cccc(NC(=O)C2CC(=O)Nc3c(-c4ccccc4)cnn32)c1
• InChI: InChI=1S/C21H19N5O3/c1-13(27)23-15-8-5-9-16(10-15)24-21(29)18-11-19(28)25-20-17(12-22-26(18)20)14-6-3-2-4-7-14/h2-10,12,18H,11H2,1H3,(H,23,27)(H,24,29)(H,25,28)
• InChIKey: USULGYOPSFFCPN-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 105.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135655230) is N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)Nc3c(-c4ccccc4)cnn32)c1.

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

The InChIKey is USULGYOPSFFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)23-15-8-5-9-16(10-15)24-21(29)18-11-19(28)25-20-17(12-22-26(18)20)14-6-3-2-4-7-14/h2-10,12,18H,11H2,1H3,(H,23,27)(H,24,29)(H,25,28).

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

N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetamidophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).