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

C23H16Cl2N2O2 — CID 3121720

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

(4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone (PubChem CID 3121720) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
• PubChem CID: 3121720
• Molecular Formula: C23H16Cl2N2O2
• Molecular Weight: 423.30 g/mol
• Exact Mass: 422.06
• IUPAC Name: (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
• SMILES: O=C(c1ccc(Cl)cc1)C1Oc2ccccc2C2CC(c3ccc(Cl)cc3)=NN12
• InChI: InChI=1S/C23H16Cl2N2O2/c24-16-9-5-14(6-10-16)19-13-20-18-3-1-2-4-21(18)29-23(27(20)26-19)22(28)15-7-11-17(25)12-8-15/h1-12,20,23H,13H2
• InChIKey: WSAWLEBKZKKKRI-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.30
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone (CID 3121720) is (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone.

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

The canonical SMILES for (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone is O=C(c1ccc(Cl)cc1)C1Oc2ccccc2C2CC(c3ccc(Cl)cc3)=NN12.

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

The InChIKey is WSAWLEBKZKKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c24-16-9-5-14(6-10-16)19-13-20-18-3-1-2-4-21(18)29-23(27(20)26-19)22(28)15-7-11-17(25)12-8-15/h1-12,20,23H,13H2.

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

(4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone has a molecular weight of 423.30 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone is sourced from PubChem (CID 3121720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).