4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol

C23H22N6O2 — CID 136638182

About 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol (PubChem CID 136638182) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

• Compound Name: 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
• PubChem CID: 136638182
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
• SMILES: Oc1ccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)cc1
• InChI: InChI=1S/C23H22N6O2/c30-19-8-6-17(7-9-19)16-24-26-21-15-23(28-10-12-31-13-11-28)29-22(25-21)14-20(27-29)18-4-2-1-3-5-18/h1-9,14-16,30H,10-13H2,(H,25,26)/b24-16+
• InChIKey: XLWXDVVSYFKXBR-LFVJCYFKSA-N
• XLogP: 3.38
• TPSA: 87.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol?

The IUPAC name of 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol (CID 136638182) is 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol.

What is the SMILES notation for 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol?

The canonical SMILES for 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)cc1.

What is the InChIKey of 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol?

The InChIKey is XLWXDVVSYFKXBR-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-19-8-6-17(7-9-19)16-24-26-21-15-23(28-10-12-31-13-11-28)29-22(25-21)14-20(27-29)18-4-2-1-3-5-18/h1-9,14-16,30H,10-13H2,(H,25,26)/b24-16+.

What are the key properties of 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol?

4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol has a molecular weight of 414.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).