3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H21N3O2 — CID 171140473

About 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140473) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 171140473
• Molecular Formula: C22H21N3O2
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.16
• IUPAC Name: 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc(C)cc4)nc23)cc1C
• InChI: InChI=1S/C22H21N3O2/c1-13-5-7-16(8-6-13)18-12-20(26)25-22(23-18)21(15(3)24-25)17-9-10-19(27-4)14(2)11-17/h5-12,24H,1-4H3
• InChIKey: VBHSCKIZCAPHBW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140473) is 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

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

The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccc(C)cc4)nc23)cc1C.

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

The InChIKey is VBHSCKIZCAPHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-5-7-16(8-6-13)18-12-20(26)25-22(23-18)21(15(3)24-25)17-9-10-19(27-4)14(2)11-17/h5-12,24H,1-4H3.

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

3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 359.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).