1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)

C73H71N15O7S2 — CID 160778228

About 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)

1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide) (PubChem CID 160778228) has the molecular formula C73H71N15O7S2 and a molecular weight of 1334.60 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide).

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)
• PubChem CID: 160778228
• Molecular Formula: C73H71N15O7S2
• Molecular Weight: 1334.60 g/mol
• Exact Mass: 1333.51
• IUPAC Name: 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)
• SMILES: CCc1ccc(NC(=O)Nc2cccc(-c3cn(CC)nc3-c3ccncc3)c2)cc1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccncc2)n1.CCn1cc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(-c2ccncc2)n1.O=S=O.O=S=O
• InChI: InChI=1S/C25H25N5O.2C24H23N5O.2O2S/c1-3-18-8-10-21(11-9-18)27-25(31)28-22-7-5-6-20(16-22)23-17-30(4-2)29-24(23)19-12-14-26-15-13-19;1-3-29-16-22(23(28-29)18-10-12-25-13-11-18)19-7-5-9-21(15-19)27-24(30)26-20-8-4-6-17(2)14-20;1-3-29-16-22(23(28-29)18-11-13-25-14-12-18)19-5-4-6-21(15-19)27-24(30)26-20-9-7-17(2)8-10-20;2*1-3-2/h5-17H,3-4H2,1-2H3,(H2,27,28,31);2*4-16H,3H2,1-2H3,(H2,26,27,30)
• InChIKey: SAFRTVBTUZVYIV-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 283.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1334.60
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)?

The IUPAC name of 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide) (CID 160778228) is 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide).

What is the SMILES notation for 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)?

The canonical SMILES for 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide) is CCc1ccc(NC(=O)Nc2cccc(-c3cn(CC)nc3-c3ccncc3)c2)cc1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccncc2)n1.CCn1cc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(-c2ccncc2)n1.O=S=O.O=S=O.

What is the InChIKey of 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)?

The InChIKey is SAFRTVBTUZVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O.2C24H23N5O.2O2S/c1-3-18-8-10-21(11-9-18)27-25(31)28-22-7-5-6-20(16-22)23-17-30(4-2)29-24(23)19-12-14-26-15-13-19;1-3-29-16-22(23(28-29)18-10-12-25-13-11-18)19-7-5-9-21(15-19)27-24(30)26-20-8-4-6-17(2)14-20;1-3-29-16-22(23(28-29)18-11-13-25-14-12-18)19-5-4-6-21(15-19)27-24(30)26-20-9-7-17(2)8-10-20;2*1-3-2/h5-17H,3-4H2,1-2H3,(H2,27,28,31);2*4-16H,3H2,1-2H3,(H2,26,27,30);;.

What are the key properties of 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide)?

1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide) has a molecular weight of 1334.60 g/mol, XLogP of 15.67, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-3-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(4-methylphenyl)urea;bis(sulfur dioxide) is sourced from PubChem (CID 160778228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).