(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

C30H24N4O4 — CID 23428355

About (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 23428355) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
• PubChem CID: 23428355
• Molecular Formula: C30H24N4O4
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.18
• IUPAC Name: (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
• SMILES: CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1
• InChI: InChI=1S/C30H24N4O4/c1-3-37-25-14-12-23(13-15-25)32-30(35)21(18-31)16-22-19-34(24-9-5-4-6-10-24)33-28(22)27-17-20-8-7-11-26(36-2)29(20)38-27/h4-17,19H,3H2,1-2H3,(H,32,35)/b21-16-
• InChIKey: KZGFYXKFCLNCBG-PGMHBOJBSA-N
• XLogP: 6.24
• TPSA: 102.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?

The IUPAC name of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 23428355) is (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?

The canonical SMILES for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1.

What is the InChIKey of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?

The InChIKey is KZGFYXKFCLNCBG-PGMHBOJBSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-3-37-25-14-12-23(13-15-25)32-30(35)21(18-31)16-22-19-34(24-9-5-4-6-10-24)33-28(22)27-17-20-8-7-11-26(36-2)29(20)38-27/h4-17,19H,3H2,1-2H3,(H,32,35)/b21-16-.

What are the key properties of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?

(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 504.55 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 23428355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).