7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C19H18Cl2N2O — CID 4648999

About 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4648999) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 4648999
• Molecular Formula: C19H18Cl2N2O
• Molecular Weight: 361.27 g/mol
• Exact Mass: 360.08
• IUPAC Name: 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: CC(C)C1Oc2c(Cl)cc(Cl)cc2C2CC(c3ccccc3)=NN21
• InChI: InChI=1S/C19H18Cl2N2O/c1-11(2)19-23-17(10-16(22-23)12-6-4-3-5-7-12)14-8-13(20)9-15(21)18(14)24-19/h3-9,11,17,19H,10H2,1-2H3
• InChIKey: IBKVVCZBZGCZNI-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.27
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The IUPAC name of 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4648999) is 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

What is the SMILES notation for 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The canonical SMILES for 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CC(C)C1Oc2c(Cl)cc(Cl)cc2C2CC(c3ccccc3)=NN21.

What is the InChIKey of 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The InChIKey is IBKVVCZBZGCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-11(2)19-23-17(10-16(22-23)12-6-4-3-5-7-12)14-8-13(20)9-15(21)18(14)24-19/h3-9,11,17,19H,10H2,1-2H3.

What are the key properties of 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 361.27 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-dichloro-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4648999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).