(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one

C123H107Cl3F4N12O13 — CID 157185056

About (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one

(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one (PubChem CID 157185056) has the molecular formula C123H107Cl3F4N12O13 and a molecular weight of 2143.63 g/mol. Its IUPAC name is (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
• PubChem CID: 157185056
• Molecular Formula: C123H107Cl3F4N12O13
• Molecular Weight: 2143.63 g/mol
• Exact Mass: 2140.71
• IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
• SMILES: COc1ccc(C(=O)/C=C/c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(CO)cc3F)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(F)c(F)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(F)cc3)n[nH]2)cc1C
• InChI: InChI=1S/C22H22N2O2.C21H19FN2O3.C20H16Cl2N2O2.C20H17ClN2O2.C20H16F2N2O2.C20H17FN2O2/c1-14-5-6-17(11-15(14)2)20-13-19(23-24-20)8-9-21(25)18-7-10-22(26-4)16(3)12-18;1-13-9-15(4-8-21(13)27-2)20(26)7-5-16-11-19(24-23-16)17-6-3-14(12-25)10-18(17)22;1-12-9-14(4-8-20(12)26-2)19(25)7-5-15-11-18(24-23-15)13-3-6-16(21)17(22)10-13;1-13-11-15(5-10-20(13)25-2)19(24)9-8-17-12-18(23-22-17)14-3-6-16(21)7-4-14;1-12-9-14(4-8-20(12)26-2)19(25)7-5-15-11-18(24-23-15)13-3-6-16(21)17(22)10-13;1-13-11-15(5-10-20(13)25-2)19(24)9-8-17-12-18(23-22-17)14-3-6-16(21)7-4-14/h5-13H,1-4H3,(H,23,24);3-11,25H,12H2,1-2H3,(H,23,24);3-11H,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23);3-11H,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23)/b9-8+;2*7-5+;9-8+;7-5+;9-8+
• InChIKey: APAFRJRXULSMOB-UKRUACHVSA-N
• XLogP: 28.36
• TPSA: 350.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.63
LogP ≤ 5	28.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one?

The IUPAC name of (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one (CID 157185056) is (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(CO)cc3F)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(F)c(F)c3)n[nH]2)cc1C.COc1ccc(C(=O)/C=C/c2cc(-c3ccc(F)cc3)n[nH]2)cc1C.

What is the InChIKey of (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one?

The InChIKey is APAFRJRXULSMOB-UKRUACHVSA-N. The full InChI is InChI=1S/C22H22N2O2.C21H19FN2O3.C20H16Cl2N2O2.C20H17ClN2O2.C20H16F2N2O2.C20H17FN2O2/c1-14-5-6-17(11-15(14)2)20-13-19(23-24-20)8-9-21(25)18-7-10-22(26-4)16(3)12-18;1-13-9-15(4-8-21(13)27-2)20(26)7-5-16-11-19(24-23-16)17-6-3-14(12-25)10-18(17)22;1-12-9-14(4-8-20(12)26-2)19(25)7-5-15-11-18(24-23-15)13-3-6-16(21)17(22)10-13;1-13-11-15(5-10-20(13)25-2)19(24)9-8-17-12-18(23-22-17)14-3-6-16(21)7-4-14;1-12-9-14(4-8-20(12)26-2)19(25)7-5-15-11-18(24-23-15)13-3-6-16(21)17(22)10-13;1-13-11-15(5-10-20(13)25-2)19(24)9-8-17-12-18(23-22-17)14-3-6-16(21)7-4-14/h5-13H,1-4H3,(H,23,24);3-11,25H,12H2,1-2H3,(H,23,24);3-11H,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23);3-11H,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23)/b9-8+;2*7-5+;9-8+;7-5+;9-8+.

What are the key properties of (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one?

(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one has a molecular weight of 2143.63 g/mol, XLogP of 28.36, 31 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 157185056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).