1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole

C24H28N2O3 — CID 11269373

About 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole

1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole (PubChem CID 11269373) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole.

Molecular Properties

• Compound Name: 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
• PubChem CID: 11269373
• Molecular Formula: C24H28N2O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
• SMILES: CCc1cc(-c2ccc(OC)c(O[C@H]3CCCO3)c2)n(-c2cccc(C)c2C)n1
• InChI: InChI=1S/C24H28N2O3/c1-5-19-15-21(26(25-19)20-9-6-8-16(2)17(20)3)18-11-12-22(27-4)23(14-18)29-24-10-7-13-28-24/h6,8-9,11-12,14-15,24H,5,7,10,13H2,1-4H3/t24-/m0/s1
• InChIKey: FSTNDZQOZCLZEU-DEOSSOPVSA-N
• XLogP: 5.24
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole?

The IUPAC name of 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole (CID 11269373) is 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole.

What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole?

The canonical SMILES for 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole is CCc1cc(-c2ccc(OC)c(O[C@H]3CCCO3)c2)n(-c2cccc(C)c2C)n1.

What is the InChIKey of 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole?

The InChIKey is FSTNDZQOZCLZEU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-19-15-21(26(25-19)20-9-6-8-16(2)17(20)3)18-11-12-22(27-4)23(14-18)29-24-10-7-13-28-24/h6,8-9,11-12,14-15,24H,5,7,10,13H2,1-4H3/t24-/m0/s1.

What are the key properties of 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole?

1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole has a molecular weight of 392.50 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole is sourced from PubChem (CID 11269373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).