(E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

C₂₁H₁₈N₂O₃ — CID 155547687

About (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

(E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 155547687) has the molecular formula C₂₁H₁₈N₂O₃ and a molecular weight of 346.39 g/mol. Its IUPAC name is (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
• PubChem CID: 155547687
• Molecular Formula: C₂₁H₁₈N₂O₃
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.13
• IUPAC Name: (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
• SMILES: COc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2ccc(OC)cc2-3)cc1
• InChI: InChI=1S/C21H18N2O3/c1-25-15-6-3-13(4-7-15)20(24)10-9-19-18-11-14-5-8-16(26-2)12-17(14)21(18)23-22-19/h3-10,12H,11H2,1-2H3,(H,22,23)/b10-9+
• InChIKey: HXZJXLPRCMJZGO-MDZDMXLPSA-N
• XLogP: 3.89
• TPSA: 64.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?

The IUPAC name of (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 155547687) is (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2ccc(OC)cc2-3)cc1.

What is the InChIKey of (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?

The InChIKey is HXZJXLPRCMJZGO-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-25-15-6-3-13(4-7-15)20(24)10-9-19-18-11-14-5-8-16(26-2)12-17(14)21(18)23-22-19/h3-10,12H,11H2,1-2H3,(H,22,23)/b10-9+.

What are the key properties of (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?

(E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 346.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 155547687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155547687 — identifiers, structure, computed properties (public domain)

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