N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

C94H85Cl12N25O13 — CID 158885123

About N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (PubChem CID 158885123) has the molecular formula C94H85Cl12N25O13 and a molecular weight of 2198.31 g/mol. Its IUPAC name is N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
• PubChem CID: 158885123
• Molecular Formula: C94H85Cl12N25O13
• Molecular Weight: 2198.31 g/mol
• Exact Mass: 2191.30
• IUPAC Name: N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
• SMILES: C=C(C)C(=O)NC1=NN(c2c(Cl)cc(C)cc2Cl)C(=O)C1n1cccn1.C=C(C)C(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1n1cccn1.C=C(C)C(=O)NC1=NN(c2c(Cl)cc(OC)cc2Cl)C(=O)C1n1nc(C)cc1C.C=C(C)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2n2cc(C)cn2)c1.C=CC(=O)NCCCCCC(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1
• InChI: InChI=1S/C24H19Cl3N6O3.C19H19Cl2N5O3.C18H20Cl2N4O3.C17H15Cl2N5O2.C16H12Cl3N5O2/c1-12(2)22(34)29-16-6-4-5-14(7-16)23(35)30-21-20(32-11-13(3)10-28-32)24(36)33(31-21)19-17(26)8-15(25)9-18(19)27;1-9(2)18(27)22-17-16(25-11(4)6-10(3)23-25)19(28)26(24-17)15-13(20)7-12(29-5)8-14(15)21;1-2-16(25)21-9-5-3-4-6-17(26)22-15-11-18(27)24(23-15)14-10-12(19)7-8-13(14)20;1-9(2)16(25)21-15-14(23-6-4-5-20-23)17(26)24(22-15)13-11(18)7-10(3)8-12(13)19;1-8(2)15(25)21-14-13(23-5-3-4-20-23)16(26)24(22-14)12-10(18)6-9(17)7-11(12)19/h4-11,20H,1H2,2-3H3,(H,29,34)(H,30,31,35);6-8,16H,1H2,2-5H3,(H,22,24,27);2,7-8,10H,1,3-6,9,11H2,(H,21,25)(H,22,23,26);4-8,14H,1H2,2-3H3,(H,21,22,25);3-7,13H,1H2,2H3,(H,21,22,25)
• InChIKey: JDNMMWLSBCDODS-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 447.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.31
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The IUPAC name of N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (CID 158885123) is N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

What is the SMILES notation for N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The canonical SMILES for N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is C=C(C)C(=O)NC1=NN(c2c(Cl)cc(C)cc2Cl)C(=O)C1n1cccn1.C=C(C)C(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1n1cccn1.C=C(C)C(=O)NC1=NN(c2c(Cl)cc(OC)cc2Cl)C(=O)C1n1nc(C)cc1C.C=C(C)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2n2cc(C)cn2)c1.C=CC(=O)NCCCCCC(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1.

What is the InChIKey of N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The InChIKey is JDNMMWLSBCDODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N6O3.C19H19Cl2N5O3.C18H20Cl2N4O3.C17H15Cl2N5O2.C16H12Cl3N5O2/c1-12(2)22(34)29-16-6-4-5-14(7-16)23(35)30-21-20(32-11-13(3)10-28-32)24(36)33(31-21)19-17(26)8-15(25)9-18(19)27;1-9(2)18(27)22-17-16(25-11(4)6-10(3)23-25)19(28)26(24-17)15-13(20)7-12(29-5)8-14(15)21;1-2-16(25)21-9-5-3-4-6-17(26)22-15-11-18(27)24(23-15)14-10-12(19)7-8-13(14)20;1-9(2)16(25)21-15-14(23-6-4-5-20-23)17(26)24(22-15)13-11(18)7-10(3)8-12(13)19;1-8(2)15(25)21-14-13(23-5-3-4-20-23)16(26)24(22-14)12-10(18)6-9(17)7-11(12)19/h4-11,20H,1H2,2-3H3,(H,29,34)(H,30,31,35);6-8,16H,1H2,2-5H3,(H,22,24,27);2,7-8,10H,1,3-6,9,11H2,(H,21,25)(H,22,23,26);4-8,14H,1H2,2-3H3,(H,21,22,25);3-7,13H,1H2,2H3,(H,21,22,25).

What are the key properties of N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide has a molecular weight of 2198.31 g/mol, XLogP of 17.96, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,6-dichloro-4-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,6-dichloro-4-methylphenyl)-5-oxo-4-pyrazol-1-yl-4H-pyrazol-3-yl]-2-methylprop-2-enamide;N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]-6-(prop-2-enoylamino)hexanamide;2-methyl-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]prop-2-enamide;3-(2-methylprop-2-enoylamino)-N-[4-(4-methylpyrazol-1-yl)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 158885123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).