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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

C83H80F3N25O11S — CID 158614557

About 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 158614557) has the molecular formula C83H80F3N25O11S and a molecular weight of 1692.78 g/mol. Its IUPAC name is 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
• PubChem CID: 158614557
• Molecular Formula: C83H80F3N25O11S
• Molecular Weight: 1692.78 g/mol
• Exact Mass: 1691.61
• IUPAC Name: 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
• SMILES: CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(F)c2)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)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)c2cccc(F)c2)n1
• InChI: InChI=1S/C18H19N5O2S.2C17H16FN5O2.C16H14FN5O2.C15H15N5O3/c1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;1-3-13-9-15(24)21-17(19-13)23-14(7-10(2)22-23)20-16(25)11-5-4-6-12(18)8-11;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;1-9-7-14(23)20-16(18-9)22-13(6-10(2)21-22)19-15(24)11-4-3-5-12(17)8-11;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/h5-10H,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)
• InChIKey: HXFQRIRAZBBFAK-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 476.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.78
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?

The IUPAC name of 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 158614557) is 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

What is the SMILES notation for 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?

The canonical SMILES for 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(F)c2)n1.CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)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)c2cccc(F)c2)n1.

What is the InChIKey of 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?

The InChIKey is HXFQRIRAZBBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S.2C17H16FN5O2.C16H14FN5O2.C15H15N5O3/c1-4-12-10-16(24)21-18(19-12)23-15(9-11(2)22-23)20-17(25)13-7-5-6-8-14(13)26-3;1-3-13-9-15(24)21-17(19-13)23-14(7-10(2)22-23)20-16(25)11-5-4-6-12(18)8-11;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;1-9-7-14(23)20-16(18-9)22-13(6-10(2)21-22)19-15(24)11-4-3-5-12(17)8-11;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/h5-10H,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).

What are the key properties of 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide?

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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 1692.78 g/mol, XLogP of 10.87, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-3-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-methylsulfanylbenzamide;3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 158614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).