(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H20N4O4 — CID 135901713

About (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135901713) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135901713
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N3)cc1
• InChI: InChI=1S/C21H20N4O4/c1-28-14-9-7-13(8-10-14)16-11-19-23-20(26)12-17(25(19)24-16)21(27)22-15-5-3-4-6-18(15)29-2/h3-11,17H,12H2,1-2H3,(H,22,27)(H,23,26)/t17-/m1/s1
• InChIKey: UTPZATPIURUQKN-QGZVFWFLSA-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-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135901713) is (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N3)cc1.

What is the InChIKey of (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is UTPZATPIURUQKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-14-9-7-13(8-10-14)16-11-19-23-20(26)12-17(25(19)24-16)21(27)22-15-5-3-4-6-18(15)29-2/h3-11,17H,12H2,1-2H3,(H,22,27)(H,23,26)/t17-/m1/s1.

What are the key properties of (7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

(7R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-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-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).