(5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one

C32H37ClF2N2O3Si — CID 164674089

About (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one

(5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one (PubChem CID 164674089) has the molecular formula C32H37ClF2N2O3Si and a molecular weight of 599.19 g/mol. Its IUPAC name is (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one.

Molecular Properties

• Compound Name: (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
• PubChem CID: 164674089
• Molecular Formula: C32H37ClF2N2O3Si
• Molecular Weight: 599.19 g/mol
• Exact Mass: 598.22
• IUPAC Name: (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
• SMILES: Cc1cc(COc2c(F)cc(CC3=C/C(=C/[Si](C(C)C)(C(C)C)C(C)C)OC3=O)cc2F)n(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C32H37ClF2N2O3Si/c1-19(2)41(20(3)4,21(5)6)18-28-16-24(32(38)40-28)13-23-14-29(34)31(30(35)15-23)39-17-27-12-22(7)36-37(27)26-10-8-25(33)9-11-26/h8-12,14-16,18-21H,13,17H2,1-7H3/b28-18-
• InChIKey: HJKJWHBXIXEBJQ-VEILYXNESA-N
• XLogP: 8.82
• TPSA: 53.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.19
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?

The IUPAC name of (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one (CID 164674089) is (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one.

What is the SMILES notation for (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?

The canonical SMILES for (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one is Cc1cc(COc2c(F)cc(CC3=C/C(=C/[Si](C(C)C)(C(C)C)C(C)C)OC3=O)cc2F)n(-c2ccc(Cl)cc2)n1.

What is the InChIKey of (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?

The InChIKey is HJKJWHBXIXEBJQ-VEILYXNESA-N. The full InChI is InChI=1S/C32H37ClF2N2O3Si/c1-19(2)41(20(3)4,21(5)6)18-28-16-24(32(38)40-28)13-23-14-29(34)31(30(35)15-23)39-17-27-12-22(7)36-37(27)26-10-8-25(33)9-11-26/h8-12,14-16,18-21H,13,17H2,1-7H3/b28-18-.

What are the key properties of (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?

(5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one has a molecular weight of 599.19 g/mol, XLogP of 8.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one is sourced from PubChem (CID 164674089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).