4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C29H31N3O3 — CID 134805136

About 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134805136) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• PubChem CID: 134805136
• Molecular Formula: C29H31N3O3
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.24
• IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• SMILES: COc1ccc(OC)c(CN2CCCn3nc(C)c(-c4ccccc4OCc4ccccc4)c32)c1
• InChI: InChI=1S/C29H31N3O3/c1-21-28(25-12-7-8-13-27(25)35-20-22-10-5-4-6-11-22)29-31(16-9-17-32(29)30-21)19-23-18-24(33-2)14-15-26(23)34-3/h4-8,10-15,18H,9,16-17,19-20H2,1-3H3
• InChIKey: BVVCYOOSQDWMAS-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 48.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134805136) is 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is COc1ccc(OC)c(CN2CCCn3nc(C)c(-c4ccccc4OCc4ccccc4)c32)c1.

What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The InChIKey is BVVCYOOSQDWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-21-28(25-12-7-8-13-27(25)35-20-22-10-5-4-6-11-22)29-31(16-9-17-32(29)30-21)19-23-18-24(33-2)14-15-26(23)34-3/h4-8,10-15,18H,9,16-17,19-20H2,1-3H3.

What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 469.59 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134805136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).