3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol

C26H25N3O — CID 134808160

About 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol

3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (PubChem CID 134808160) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.

Molecular Properties

• Compound Name: 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
• PubChem CID: 134808160
• Molecular Formula: C26H25N3O
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.20
• IUPAC Name: 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
• SMILES: Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1cccc(O)c1)CCC2
• InChI: InChI=1S/C26H25N3O/c1-19-25(24-14-6-5-13-23(24)21-10-3-2-4-11-21)26-28(15-8-16-29(26)27-19)18-20-9-7-12-22(30)17-20/h2-7,9-14,17,30H,8,15-16,18H2,1H3
• InChIKey: JHWWDXFVRIUKKK-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?

The IUPAC name of 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (CID 134808160) is 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.

What is the SMILES notation for 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?

The canonical SMILES for 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(Cc1cccc(O)c1)CCC2.

What is the InChIKey of 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?

The InChIKey is JHWWDXFVRIUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-25(24-14-6-5-13-23(24)21-10-3-2-4-11-21)26-28(15-8-16-29(26)27-19)18-20-9-7-12-22(30)17-20/h2-7,9-14,17,30H,8,15-16,18H2,1H3.

What are the key properties of 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?

3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol has a molecular weight of 395.51 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is sourced from PubChem (CID 134808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).