3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C25H23N3O2 — CID 134307244

About 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307244) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134307244
• Molecular Formula: C25H23N3O2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.18
• IUPAC Name: 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(O)cc1
• InChI: InChI=1S/C25H23N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h3,6-8,10-15,27,29H,2,4-5,9H2,1H3
• InChIKey: HBIIXGIOASQEKU-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307244) is 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C3=CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(O)cc1.

What is the InChIKey of 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is HBIIXGIOASQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-21(18-12-14-20(29)15-13-18)25(30)28-24(26-16)22(17-8-4-2-5-9-17)23(27-28)19-10-6-3-7-11-19/h3,6-8,10-15,27,29H,2,4-5,9H2,1H3.

What are the key properties of 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 397.48 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).