bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

C115H112F3N35O16S2 — CID 159244762

About bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 159244762) has the molecular formula C115H112F3N35O16S2 and a molecular weight of 2361.52 g/mol. Its IUPAC name is bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 159244762
• Molecular Formula: C115H112F3N35O16S2
• Molecular Weight: 2361.52 g/mol
• Exact Mass: 2359.84
• IUPAC Name: bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1
• InChI: InChI=1S/C18H19N5O3.C18H19N5O2S.2C17H16FN5O2.C16H14FN5O2.C15H15N5O3.C14H13N5O2S/c2*1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;2*1-3-11-9-15(24)21-17(19-11)23-14(8-10(2)22-23)20-16(25)12-6-4-5-7-13(12)18;1-9-8-14(23)20-16(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)17;1-3-10-8-13(21)18-15(16-10)20-12(7-9(2)19-20)17-14(22)11-5-4-6-23-11;1-8-7-12(20)17-14(15-8)19-11(6-9(2)18-19)16-13(21)10-4-3-5-22-10/h2*5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24);2*4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24);3-8H,1-2H3,(H,19,24)(H,18,20,23);4-8H,3H2,1-2H3,(H,17,22)(H,16,18,21);3-7H,1-2H3,(H,16,21)(H,15,17,20)
• InChIKey: KUNSGDUISMNPIA-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 671.06 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2361.52
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (CID 159244762) is bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2OC)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2SC)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1.

What is the InChIKey of bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?

The InChIKey is KUNSGDUISMNPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3.C18H19N5O2S.2C17H16FN5O2.C16H14FN5O2.C15H15N5O3.C14H13N5O2S/c2*1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;2*1-3-11-9-15(24)21-17(19-11)23-14(8-10(2)22-23)20-16(25)12-6-4-5-7-13(12)18;1-9-8-14(23)20-16(18-9)22-13(7-10(2)21-22)19-15(24)11-5-3-4-6-12(11)17;1-3-10-8-13(21)18-15(16-10)20-12(7-9(2)19-20)17-14(22)11-5-4-6-23-11;1-8-7-12(20)17-14(15-8)19-11(6-9(2)18-19)16-13(21)10-4-3-5-22-10/h2*5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24);2*4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24);3-8H,1-2H3,(H,19,24)(H,18,20,23);4-8H,3H2,1-2H3,(H,17,22)(H,16,18,21);3-7H,1-2H3,(H,16,21)(H,15,17,20).

What are the key properties of bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?

bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 2361.52 g/mol, XLogP of 14.85, 28 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide);N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide;N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159244762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).