2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

C22H17ClN2O2 — CID 32863595

About 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol (PubChem CID 32863595) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol.

Molecular Properties

• Compound Name: 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
• PubChem CID: 32863595
• Molecular Formula: C22H17ClN2O2
• Molecular Weight: 376.84 g/mol
• Exact Mass: 376.10
• IUPAC Name: 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
• SMILES: Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21
• InChI: InChI=1S/C22H17ClN2O2/c23-15-11-9-14(10-12-15)18-13-19-16-5-2-4-8-21(16)27-22(25(19)24-18)17-6-1-3-7-20(17)26/h1-12,19,22,26H,13H2/t19-,22-/m1/s1
• InChIKey: QFGWWMOKECHORR-DENIHFKCSA-N
• XLogP: 5.29
• TPSA: 45.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.84
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol?

The IUPAC name of 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol (CID 32863595) is 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol.

What is the SMILES notation for 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol?

The canonical SMILES for 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol is Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21.

What is the InChIKey of 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol?

The InChIKey is QFGWWMOKECHORR-DENIHFKCSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-15-11-9-14(10-12-15)18-13-19-16-5-2-4-8-21(16)27-22(25(19)24-18)17-6-1-3-7-20(17)26/h1-12,19,22,26H,13H2/t19-,22-/m1/s1.

What are the key properties of 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol?

2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol has a molecular weight of 376.84 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R,10bR)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol is sourced from PubChem (CID 32863595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).