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

C24H19ClN2O2 — CID 3121788

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

(4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone (PubChem CID 3121788) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
• PubChem CID: 3121788
• Molecular Formula: C24H19ClN2O2
• Molecular Weight: 402.88 g/mol
• Exact Mass: 402.11
• IUPAC Name: (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
• SMILES: Cc1ccc(C2=NN3C(C(=O)c4ccc(Cl)cc4)Oc4ccccc4C3C2)cc1
• InChI: InChI=1S/C24H19ClN2O2/c1-15-6-8-16(9-7-15)20-14-21-19-4-2-3-5-22(19)29-24(27(21)26-20)23(28)17-10-12-18(25)13-11-17/h2-13,21,24H,14H2,1H3
• InChIKey: VCSXMDDEIJBENF-UHFFFAOYSA-N
• XLogP: 5.40
• 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	402.88
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone (CID 3121788) is (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone.

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

The canonical SMILES for (4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone is Cc1ccc(C2=NN3C(C(=O)c4ccc(Cl)cc4)Oc4ccccc4C3C2)cc1.

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

The InChIKey is VCSXMDDEIJBENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-6-8-16(9-7-15)20-14-21-19-4-2-3-5-22(19)29-24(27(21)26-20)23(28)17-10-12-18(25)13-11-17/h2-13,21,24H,14H2,1H3.

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

(4-chlorophenyl)-[2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone has a molecular weight of 402.88 g/mol, XLogP of 5.40, 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-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone is sourced from PubChem (CID 3121788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).