3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H17ClN4O — CID 130192843

About 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 130192843) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 130192843
• Molecular Formula: C24H17ClN4O
• Molecular Weight: 412.88 g/mol
• Exact Mass: 412.11
• IUPAC Name: 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1[nH]n2c(=O)cc(-c3cccc(-c4cccnc4)c3)nc2c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C24H17ClN4O/c1-15-23(16-7-9-20(25)10-8-16)24-27-21(13-22(30)29(24)28-15)18-5-2-4-17(12-18)19-6-3-11-26-14-19/h2-14,28H,1H3
• InChIKey: LCMDAQFLOOYLFC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.88
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 130192843) is 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3cccc(-c4cccnc4)c3)nc2c1-c1ccc(Cl)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is LCMDAQFLOOYLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c1-15-23(16-7-9-20(25)10-8-16)24-27-21(13-22(30)29(24)28-15)18-5-2-4-17(12-18)19-6-3-11-26-14-19/h2-14,28H,1H3.

What are the key properties of 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?

3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 412.88 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130192843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).