(7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C20H17ClN4O3 — CID 135902287

About (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902287) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135902287
• Molecular Formula: C20H17ClN4O3
• Molecular Weight: 396.83 g/mol
• Exact Mass: 396.10
• IUPAC Name: (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C20H17ClN4O3/c1-28-17-5-3-2-4-14(17)15-11-22-25-16(10-18(26)24-19(15)25)20(27)23-13-8-6-12(21)7-9-13/h2-9,11,16H,10H2,1H3,(H,23,27)(H,24,26)/t16-/m0/s1
• InChIKey: CTERHWSNHXNQSP-INIZCTEOSA-N
• XLogP: 3.73
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.83
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902287) is (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is CTERHWSNHXNQSP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-28-17-5-3-2-4-14(17)15-11-22-25-16(10-18(26)24-19(15)25)20(27)23-13-8-6-12(21)7-9-13/h2-9,11,16H,10H2,1H3,(H,23,27)(H,24,26)/t16-/m0/s1.

What are the key properties of (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

(7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).