4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

C70H72ClFN20O9 — CID 158759036

About 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 158759036) has the molecular formula C70H72ClFN20O9 and a molecular weight of 1391.93 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
• PubChem CID: 158759036
• Molecular Formula: C70H72ClFN20O9
• Molecular Weight: 1391.93 g/mol
• Exact Mass: 1390.55
• IUPAC Name: 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
• SMILES: CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1
• InChI: InChI=1S/C18H18ClN5O2.C18H18FN5O2.C18H19N5O2.C16H17N5O3/c1-10(2)14-9-20-18(22-17(14)26)24-15(8-11(3)23-24)21-16(25)12-4-6-13(19)7-5-12;1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19;1-3-7-14-11-16(24)21-18(19-14)23-15(10-12(2)22-23)20-17(25)13-8-5-4-6-9-13;1-9(2)11-8-17-16(19-14(11)22)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h4-10H,1-3H3,(H,21,25)(H,20,22,26);4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25);4-6,8-11H,3,7H2,1-2H3,(H,20,25)(H,19,21,24);4-9H,1-3H3,(H,18,23)(H,17,19,22)
• InChIKey: IOKWFNBEWXNNNW-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 383.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1391.93
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 158759036) is 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide.

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

The canonical SMILES for 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1.Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2ncc(C(C)C)c(=O)[nH]2)n1.

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

The InChIKey is IOKWFNBEWXNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2.C18H18FN5O2.C18H19N5O2.C16H17N5O3/c1-10(2)14-9-20-18(22-17(14)26)24-15(8-11(3)23-24)21-16(25)12-4-6-13(19)7-5-12;1-3-6-12-10-16(25)22-18(20-12)24-15(9-11(2)23-24)21-17(26)13-7-4-5-8-14(13)19;1-3-7-14-11-16(24)21-18(19-14)23-15(10-12(2)22-23)20-17(25)13-8-5-4-6-9-13;1-9(2)11-8-17-16(19-14(11)22)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h4-10H,1-3H3,(H,21,25)(H,20,22,26);4-5,7-10H,3,6H2,1-2H3,(H,21,26)(H,20,22,25);4-6,8-11H,3,7H2,1-2H3,(H,20,25)(H,19,21,24);4-9H,1-3H3,(H,18,23)(H,17,19,22).

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

4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 1391.93 g/mol, XLogP of 10.60, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;2-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[5-methyl-2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 158759036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).