3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole

C111H108N16O6S — CID 158393866

IUPAC3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole
SMILESC=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCN3CCOCC3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21
InChIInChI=1S/C29H23N3O.C23H26N4O.C20H21N3O3S.C20H21N3O.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;1-2-26-22-6-4-3-5-20(22)21-17-19(7-8-23(21)26)27-18(9-11-24-27)10-12-25-13-15-28-16-14-25;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;1-2-22-19-8-4-3-7-17(19)18-14-16(9-10-20(18)22)23-15(6-5-13-24)11-12-21-23;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;3-9,11,17H,2,10,12-16H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3-4,7-12,14,24H,2,5-6,13H2,1H3;3,5-13H,1,4H2,2H3
InChIKeyGXHLGJKCRWGIMP-UHFFFAOYSA-N
MW1794.26 g/mol
LogP23.42
Rot. Bonds24

About 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole

3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole (PubChem CID 158393866) has the molecular formula C111H108N16O6S and a molecular weight of 1794.26 g/mol. Its IUPAC name is 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole.

Molecular Properties

Compound Name3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole
PubChem CID158393866
Molecular FormulaC111H108N16O6S
Molecular Weight1794.26 g/mol
Exact Mass1792.84
IUPAC Name3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole
SMILESC=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCN3CCOCC3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21
InChIInChI=1S/C29H23N3O.C23H26N4O.C20H21N3O3S.C20H21N3O.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;1-2-26-22-6-4-3-5-20(22)21-17-19(7-8-23(21)26)27-18(9-11-24-27)10-12-25-13-15-28-16-14-25;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;1-2-22-19-8-4-3-7-17(19)18-14-16(9-10-20(18)22)23-15(6-5-13-24)11-12-21-23;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;3-9,11,17H,2,10,12-16H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3-4,7-12,14,24H,2,5-6,13H2,1H3;3,5-13H,1,4H2,2H3
InChIKeyGXHLGJKCRWGIMP-UHFFFAOYSA-N
XLogP23.42
TPSA199.05 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.26
LogP ≤ 523.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole with MolForge

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Related Compounds

4-[2-(9-Ethylcarbazol-3-yl)pyrazol-3-yl]phenol;4-[2-[4-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]phenyl]ethyl]morpholine;9-ethyl-3-[5-(4-fluorophenyl)pyrazol-1-yl]carbazole;9-ethyl-3-fluoro-6-(5-phenylpyrazol-1-yl)carbazole;9-ethyl-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]carbazole
CID 161428045
9-[3-Carbazol-9-yl-5-[[4-[[2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-pyridinyl]methoxy]phenoxy]methyl]phenyl]carbazole;1-(1,5-dimethylpyrazol-3-yl)ethenol;iridium
CID 57802102
9-[3-Carbazol-9-yl-5-[[4-[[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methoxy]phenoxy]methyl]phenyl]carbazole;1-(1,5-dimethylpyrazol-3-yl)ethenol;iridium
CID 57802105
2-[3-[9-[1-[2-[4-[3-(9-Ethylcarbazol-3-yl)triazol-4-yl]phenoxy]phenyl]ethyl]carbazol-3-yl]triazol-4-yl]ethyl methanesulfonate
CID 132076369
2-[3-[9-[2-[2-[4-[3-(9-Ethylcarbazol-3-yl)triazol-4-yl]phenoxy]phenyl]ethyl]carbazol-3-yl]triazol-4-yl]ethanol
CID 132076370
2-[3-[9-[2-[2-[4-[3-(9-Ethylcarbazol-3-yl)triazol-4-yl]phenoxy]phenyl]ethyl]carbazol-3-yl]triazol-4-yl]ethyl methanesulfonate
CID 155020665
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
1,2-Dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
CID 157344830
3-(5-Ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-2-ylpyrazol-1-yl)carbazole
CID 157452329
butane;N-ethyl-N-methyl-2-[5-[4-(2H-pyrrol-3-yl)phenoxy]indazol-2-yl]ethanamine;methane;2-[5-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]indazol-2-yl]ethanol;2-[5-[4-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenoxy]indazol-2-yl]ethyl methanesulfonate
CID 157923775
3-(5-Ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;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 158251249
3-(5-Ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;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
CID 158327456

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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole (CID 158393866) is 3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole is C=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCN3CCOCC3)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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole?
The InChIKey is GXHLGJKCRWGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O.C23H26N4O.C20H21N3O3S.C20H21N3O.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;1-2-26-22-6-4-3-5-20(22)21-17-19(7-8-23(21)26)27-18(9-11-24-27)10-12-25-13-15-28-16-14-25;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;1-2-22-19-8-4-3-7-17(19)18-14-16(9-10-20(18)22)23-15(6-5-13-24)11-12-21-23;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;3-9,11,17H,2,10,12-16H2,1H3;4-10,12,14H,3,11,13H2,1-2H3;3-4,7-12,14,24H,2,5-6,13H2,1H3;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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole?
3-(5-ethenylpyrazol-1-yl)-9-ethylcarbazole;2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl methanesulfonate;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole has a molecular weight of 1794.26 g/mol, XLogP of 23.42, 24 rotatable bonds, 1 hydrogen bond donors, and 22 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;4-[2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethyl]morpholine;3-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]propan-1-ol;9-ethyl-3-[5-(4-phenoxyphenyl)pyrazol-1-yl]carbazole is sourced from PubChem (CID 158393866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).