ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol

C27H32N4O — CID 145001697

About ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol

ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol (PubChem CID 145001697) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol.

Molecular Properties

• Compound Name: ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
• PubChem CID: 145001697
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
• SMILES: CC.CC(O)c1cccc(-c2cnn3cc(-c4ccc(C5CCCNC5)cc4)cnc23)c1
• InChI: InChI=1S/C25H26N4O.C2H6/c1-17(30)20-4-2-5-21(12-20)24-15-28-29-16-23(14-27-25(24)29)19-9-7-18(8-10-19)22-6-3-11-26-13-22;1-2/h2,4-5,7-10,12,14-17,22,26,30H,3,6,11,13H2,1H3;1-2H3
• InChIKey: VEHZKTCXFISUIE-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 62.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?

The IUPAC name of ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol (CID 145001697) is ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol.

What is the SMILES notation for ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?

The canonical SMILES for ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol is CC.CC(O)c1cccc(-c2cnn3cc(-c4ccc(C5CCCNC5)cc4)cnc23)c1.

What is the InChIKey of ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?

The InChIKey is VEHZKTCXFISUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.C2H6/c1-17(30)20-4-2-5-21(12-20)24-15-28-29-16-23(14-27-25(24)29)19-9-7-18(8-10-19)22-6-3-11-26-13-22;1-2/h2,4-5,7-10,12,14-17,22,26,30H,3,6,11,13H2,1H3;1-2H3.

What are the key properties of ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?

ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol has a molecular weight of 428.58 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol is sourced from PubChem (CID 145001697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).