7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C29H24N6O2 — CID 134347336

About 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine

7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134347336) has the molecular formula C29H24N6O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 134347336
• Molecular Formula: C29H24N6O2
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.20
• IUPAC Name: 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
• InChI: InChI=1S/C29H24N6O2/c1-36-22-15-13-20(14-16-22)25-27(31-23-17-18-30-33-23)32-28-24(19-9-5-3-6-10-19)26(21-11-7-4-8-12-21)34-35(28)29(25)37-2/h3-18H,1-2H3,(H2,30,31,32,33)
• InChIKey: JDGZVYMRMRDABR-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 89.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The IUPAC name of 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 134347336) is 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

What is the SMILES notation for 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The canonical SMILES for 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.

What is the InChIKey of 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is JDGZVYMRMRDABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O2/c1-36-22-15-13-20(14-16-22)25-27(31-23-17-18-30-33-23)32-28-24(19-9-5-3-6-10-19)26(21-11-7-4-8-12-21)34-35(28)29(25)37-2/h3-18H,1-2H3,(H2,30,31,32,33).

What are the key properties of 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 488.55 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134347336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).