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

C20H16Cl2N4O3 — CID 135953849

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

(7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135953849) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is (7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135953849
• Molecular Formula: C20H16Cl2N4O3
• Molecular Weight: 431.28 g/mol
• Exact Mass: 430.06
• IUPAC Name: (7S)-N-(2,3-dichlorophenyl)-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)Nc1cccc(Cl)c1Cl
• InChI: InChI=1S/C20H16Cl2N4O3/c1-29-16-8-3-2-5-11(16)12-10-23-26-15(9-17(27)25-19(12)26)20(28)24-14-7-4-6-13(21)18(14)22/h2-8,10,15H,9H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
• InChIKey: OIZDQKMXECVEMS-HNNXBMFYSA-N
• XLogP: 4.39
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.28
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135953849) is (7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7S)-N-(2,3-dichlorophenyl)-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)Nc1cccc(Cl)c1Cl.

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

The InChIKey is OIZDQKMXECVEMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c1-29-16-8-3-2-5-11(16)12-10-23-26-15(9-17(27)25-19(12)26)20(28)24-14-7-4-6-13(21)18(14)22/h2-8,10,15H,9H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1.

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

(7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).