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

C₆₈H₇₀ClFN₂₀O₉S — CID 158416582

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

4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 158416582) has the molecular formula C₆₈H₇₀ClFN₂₀O₉S and a molecular weight of 1397.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 158416582
• Molecular Formula: C₆₈H₇₀ClFN₂₀O₉S
• Molecular Weight: 1397.96 g/mol
• Exact Mass: 1396.50
• IUPAC Name: 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
• SMILES: CCc1nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2cccs2)[nH]c(=O)c1C
• InChI: InChI=1S/C18H18ClN5O2.C18H18FN5O2.C16H17N5O3.C16H17N5O2S/c1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-5-7-13(19)8-6-12;1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-7-5-6-8-13(12)19;2*1-4-11-10(3)14(22)19-16(17-11)21-13(8-9(2)20-21)18-15(23)12-6-5-7-24-12/h2*5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25);2*5-8H,4H2,1-3H3,(H,18,23)(H,17,19,22)
• InChIKey: GZYWTQCBIVIVPL-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 383.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.96
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide (CID 158416582) is 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide is CCc1nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2F)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2ccco2)[nH]c(=O)c1C.CCc1nc(-n2nc(C)cc2NC(=O)c2cccs2)[nH]c(=O)c1C.

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

The InChIKey is GZYWTQCBIVIVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2.C18H18FN5O2.C16H17N5O3.C16H17N5O2S/c1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-5-7-13(19)8-6-12;1-4-14-11(3)16(25)22-18(20-14)24-15(9-10(2)23-24)21-17(26)12-7-5-6-8-13(12)19;2*1-4-11-10(3)14(22)19-16(17-11)21-13(8-9(2)20-21)18-15(23)12-6-5-7-24-12/h2*5-9H,4H2,1-3H3,(H,21,26)(H,20,22,25);2*5-8H,4H2,1-3H3,(H,18,23)(H,17,19,22).

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

4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 1397.96 g/mol, XLogP of 10.00, 16 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[2-(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158416582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158416582 — identifiers, structure, computed properties (public domain)

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