3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole

C111H96N16O4S2 — CID 157120697

About 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole

3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole (PubChem CID 157120697) has the molecular formula C111H96N16O4S2 and a molecular weight of 1782.23 g/mol. Its IUPAC name is 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole.

Molecular Properties

• Compound Name: 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole
• PubChem CID: 157120697
• Molecular Formula: C111H96N16O4S2
• Molecular Weight: 1782.23 g/mol
• Exact Mass: 1780.72
• IUPAC Name: 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole
• SMILES: C=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21
• InChI: InChI=1S/C29H23N3O.C22H18N4.C21H17N3S.C20H21N3O3S.C19H17N3/c1-2-31-28-11-7-6-10-25(28)26-20-22(14-17-29(26)31)32-27(18-19-30-32)21-12-15-24(16-13-21)33-23-8-4-3-5-9-23;1-2-25-20-9-4-3-7-17(20)18-15-16(10-11-21(18)25)26-22(12-14-24-26)19-8-5-6-13-23-19;1-2-23-20-6-4-3-5-17(20)18-13-16(7-8-21(18)23)24-19(9-11-22-24)15-10-12-25-14-15;1-3-22-19-7-5-4-6-17(19)18-14-16(8-9-20(18)22)23-15(10-12-21-23)11-13-26-27(2,24)25;1-3-14-11-12-20-22(14)15-9-10-19-17(13-15)16-7-5-6-8-18(16)21(19)4-2/h3-20H,2H2,1H3;3-15H,2H2,1H3;3-14H,2H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3,5-13H,1,4H2,2H3
• InChIKey: AHXYXGASDCVZHS-UHFFFAOYSA-N
• XLogP: 26.41
• TPSA: 179.24 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.23
LogP ≤ 5	26.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole?

The IUPAC name of 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole (CID 157120697) is 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole.

What is the SMILES notation for 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole?

The canonical SMILES for 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole is C=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21.

What is the InChIKey of 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole?

The InChIKey is AHXYXGASDCVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O.C22H18N4.C21H17N3S.C20H21N3O3S.C19H17N3/c1-2-31-28-11-7-6-10-25(28)26-20-22(14-17-29(26)31)32-27(18-19-30-32)21-12-15-24(16-13-21)33-23-8-4-3-5-9-23;1-2-25-20-9-4-3-7-17(20)18-15-16(10-11-21(18)25)26-22(12-14-24-26)19-8-5-6-13-23-19;1-2-23-20-6-4-3-5-17(20)18-13-16(7-8-21(18)23)24-19(9-11-22-24)15-10-12-25-14-15;1-3-22-19-7-5-4-6-17(19)18-14-16(8-9-20(18)22)23-15(10-12-21-23)11-13-26-27(2,24)25;1-3-14-11-12-20-22(14)15-9-10-19-17(13-15)16-7-5-6-8-18(16)21(19)4-2/h3-20H,2H2,1H3;3-15H,2H2,1H3;3-14H,2H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3,5-13H,1,4H2,2H3.

What are the key properties of 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole?

3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole has a molecular weight of 1782.23 g/mol, XLogP of 26.41, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole is sourced from PubChem (CID 157120697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).