2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

C25H25N3O3 — CID 70660305

About 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 70660305) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 70660305
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1nc2cc(-c3ccccc3)nn2c(-c2ccccc2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C25H25N3O3/c1-16-21(23(24(29)30)31-25(2,3)4)22(18-13-9-6-10-14-18)28-20(26-16)15-19(27-28)17-11-7-5-8-12-17/h5-15,23H,1-4H3,(H,29,30)
• InChIKey: SVBIBHXLPXJZKV-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 70660305) is 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1nc2cc(-c3ccccc3)nn2c(-c2ccccc2)c1C(OC(C)(C)C)C(=O)O.

What is the InChIKey of 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is SVBIBHXLPXJZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-21(23(24(29)30)31-25(2,3)4)22(18-13-9-6-10-14-18)28-20(26-16)15-19(27-28)17-11-7-5-8-12-17/h5-15,23H,1-4H3,(H,29,30).

What are the key properties of 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 415.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 70660305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).