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

C131H117N19O5S2 — CID 158251249

IUPAC3-(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
SMILESC=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21
InChIInChI=1S/C29H23N3O.C22H18N4.C21H17N3S.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;1-2-25-20-9-4-3-7-17(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;1-2-22-19-8-4-3-7-17(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;3-15H,2H2,1H3;3-14H,2H2,1H3;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
InChIKeyGGSWSYCISNVRIX-UHFFFAOYSA-N
MW2101.64 g/mol
LogP30.34
Rot. Bonds25

About 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

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 (PubChem CID 158251249) has the molecular formula C131H117N19O5S2 and a molecular weight of 2101.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158251249
Molecular FormulaC131H117N19O5S2
Molecular Weight2101.64 g/mol
Exact Mass2099.89
IUPAC Name3-(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
SMILESC=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCOS(C)(=O)=O)ccc21
InChIInChI=1S/C29H23N3O.C22H18N4.C21H17N3S.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;1-2-25-20-9-4-3-7-17(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;1-2-22-19-8-4-3-7-17(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;3-15H,2H2,1H3;3-14H,2H2,1H3;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
InChIKeyGGSWSYCISNVRIX-UHFFFAOYSA-N
XLogP30.34
TPSA222.22 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002101.64
LogP ≤ 530.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

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;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 with MolForge

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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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccnn1-c1ccc2c(c1)c1ccccc1n2CC.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(Oc4ccccc4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccccn3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccsc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCCO)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;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?
The InChIKey is GGSWSYCISNVRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O.C22H18N4.C21H17N3S.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;1-2-25-20-9-4-3-7-17(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;1-2-22-19-8-4-3-7-17(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;3-15H,2H2,1H3;3-14H,2H2,1H3;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;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?
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 has a molecular weight of 2101.64 g/mol, XLogP of 30.34, 25 rotatable bonds, 1 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 158251249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).