9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C23H25ClN2O — CID 3121814

About 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3121814) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 3121814
• Molecular Formula: C23H25ClN2O
• Molecular Weight: 380.92 g/mol
• Exact Mass: 380.17
• IUPAC Name: 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: Cc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC3C2CCCCC2)cc1
• InChI: InChI=1S/C23H25ClN2O/c1-15-7-9-16(10-8-15)20-14-21-19-13-18(24)11-12-22(19)27-23(26(21)25-20)17-5-3-2-4-6-17/h7-13,17,21,23H,2-6,14H2,1H3
• InChIKey: JYOSOPUDSFTYRY-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.92
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The IUPAC name of 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3121814) is 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

What is the SMILES notation for 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The canonical SMILES for 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Cc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC3C2CCCCC2)cc1.

What is the InChIKey of 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The InChIKey is JYOSOPUDSFTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-15-7-9-16(10-8-15)20-14-21-19-13-18(24)11-12-22(19)27-23(26(21)25-20)17-5-3-2-4-6-17/h7-13,17,21,23H,2-6,14H2,1H3.

What are the key properties of 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 380.92 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-5-cyclohexyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).