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-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C64H62N12O5Si — CID 159001464

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-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 159001464) has the molecular formula C64H62N12O5Si and a molecular weight of 1107.36 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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 159001464
• Molecular Formula: C64H62N12O5Si
• Molecular Weight: 1107.36 g/mol
• Exact Mass: 1106.47
• IUPAC Name: 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-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
• InChI: InChI=1S/C35H38N6O3Si.C29H24N6O2/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2;1-36-22-15-13-20(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/h6-21H,22-24H2,1-5H3,(H,36,37,38);3-18H,1-2H3,(H2,30,31,32,33)
• InChIKey: JRJQBICYTDTHDS-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 177.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.36
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 159001464) is 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-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is JRJQBICYTDTHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O3Si.C29H24N6O2/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2;1-36-22-15-13-20(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/h6-21H,22-24H2,1-5H3,(H,36,37,38);3-18H,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-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 1107.36 g/mol, XLogP of 14.21, 19 rotatable bonds, 3 hydrogen bond donors, and 16 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;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 159001464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).