3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C₂₀H₂₀N₄O₂ — CID 5393009

About 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5393009) has the molecular formula C₂₀H₂₀N₄O₂ and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
• PubChem CID: 5393009
• Molecular Formula: C₂₀H₂₀N₄O₂
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
• SMILES: CCc1ccc(-c2cc(C(=O)N/N=C\c3cccc(OC)c3)[nH]n2)cc1
• InChI: InChI=1S/C20H20N4O2/c1-3-14-7-9-16(10-8-14)18-12-19(23-22-18)20(25)24-21-13-15-5-4-6-17(11-15)26-2/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13-
• InChIKey: HYGJOEQRTKZGRU-BKUYFWCQSA-N
• XLogP: 3.41
• TPSA: 79.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 5393009) is 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C\c3cccc(OC)c3)[nH]n2)cc1.

What is the InChIKey of 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?

The InChIKey is HYGJOEQRTKZGRU-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-7-9-16(10-8-14)18-12-19(23-22-18)20(25)24-21-13-15-5-4-6-17(11-15)26-2/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13-.

What are the key properties of 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?

3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5393009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5393009 — identifiers, structure, computed properties (public domain)

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