5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione

C123H115ClN20O15 — CID 163975389

About 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione

5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 163975389) has the molecular formula C123H115ClN20O15 and a molecular weight of 2148.85 g/mol. Its IUPAC name is 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

• Compound Name: 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
• PubChem CID: 163975389
• Molecular Formula: C123H115ClN20O15
• Molecular Weight: 2148.85 g/mol
• Exact Mass: 2146.85
• IUPAC Name: 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
• SMILES: C=c1[nH]c(=O)c(=Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccc(OCCCC)cc2)c(=O)[nH]1.C=c1[nH]c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)[nH]1.C=c1[nH]c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)c(=O)[nH]1.C=c1n(C)c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)n1C.C=c1n(C)c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)c(=O)n1C
• InChI: InChI=1S/C27H28N4O3.C25H23ClN4O3.C25H24N4O3.C24H22N4O3.C22H18N4O3/c1-5-6-16-34-23-14-12-20(13-15-23)25-21(18-31(28-25)22-10-8-7-9-11-22)17-24-26(32)29(3)19(2)30(4)27(24)33;1-3-4-13-33-21-11-5-17(6-12-21)23-18(14-22-24(31)27-16(2)28-25(22)32)15-30(29-23)20-9-7-19(26)8-10-20;1-3-4-14-32-21-12-10-18(11-13-21)23-19(15-22-24(30)26-17(2)27-25(22)31)16-29(28-23)20-8-6-5-7-9-20;1-16-26(2)23(29)21(24(30)27(16)3)14-18-15-28(19-8-6-5-7-9-19)25-22(18)17-10-12-20(31-4)13-11-17;1-14-23-21(27)19(22(28)24-14)12-16-13-26(17-6-4-3-5-7-17)25-20(16)15-8-10-18(29-2)11-9-15/h7-15,17-18H,2,5-6,16H2,1,3-4H3;5-12,14-15H,2-4,13H2,1H3,(H,27,31)(H,28,32);5-13,15-16H,2-4,14H2,1H3,(H,26,30)(H,27,31);5-15H,1H2,2-4H3;3-13H,1H2,2H3,(H,23,27)(H,24,28)
• InChIKey: STQRFWAYDBUQNE-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 420.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.85
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione?

The IUPAC name of 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione (CID 163975389) is 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione.

What is the SMILES notation for 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione?

The canonical SMILES for 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione is C=c1[nH]c(=O)c(=Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccc(OCCCC)cc2)c(=O)[nH]1.C=c1[nH]c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)[nH]1.C=c1[nH]c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)c(=O)[nH]1.C=c1n(C)c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)n1C.C=c1n(C)c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)c(=O)n1C.

What is the InChIKey of 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione?

The InChIKey is STQRFWAYDBUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3.C25H23ClN4O3.C25H24N4O3.C24H22N4O3.C22H18N4O3/c1-5-6-16-34-23-14-12-20(13-15-23)25-21(18-31(28-25)22-10-8-7-9-11-22)17-24-26(32)29(3)19(2)30(4)27(24)33;1-3-4-13-33-21-11-5-17(6-12-21)23-18(14-22-24(31)27-16(2)28-25(22)32)15-30(29-23)20-9-7-19(26)8-10-20;1-3-4-14-32-21-12-10-18(11-13-21)23-19(15-22-24(30)26-17(2)27-25(22)31)16-29(28-23)20-8-6-5-7-9-20;1-16-26(2)23(29)21(24(30)27(16)3)14-18-15-28(19-8-6-5-7-9-19)25-22(18)17-10-12-20(31-4)13-11-17;1-14-23-21(27)19(22(28)24-14)12-16-13-26(17-6-4-3-5-7-17)25-20(16)15-8-10-18(29-2)11-9-15/h7-15,17-18H,2,5-6,16H2,1,3-4H3;5-12,14-15H,2-4,13H2,1H3,(H,27,31)(H,28,32);5-13,15-16H,2-4,14H2,1H3,(H,26,30)(H,27,31);5-15H,1H2,2-4H3;3-13H,1H2,2H3,(H,23,27)(H,24,28).

What are the key properties of 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione?

5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 2148.85 g/mol, XLogP of 10.02, 29 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(4-butoxyphenyl)-1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 163975389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).