ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C20H25N3O3 — CID 26233457

About ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26233457) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26233457
• Molecular Formula: C20H25N3O3
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.19
• IUPAC Name: ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1ccc(OC)cc1)C2
• InChI: InChI=1S/C20H25N3O3/c1-4-11-23-18-10-12-22(13-15-6-8-16(25-3)9-7-15)14-17(18)19(21-23)20(24)26-5-2/h4,6-9H,1,5,10-14H2,2-3H3
• InChIKey: OCKUUNJIFMVKEW-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26233457) is ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1ccc(OC)cc1)C2.

What is the InChIKey of ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is OCKUUNJIFMVKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-11-23-18-10-12-22(13-15-6-8-16(25-3)9-7-15)14-17(18)19(21-23)20(24)26-5-2/h4,6-9H,1,5,10-14H2,2-3H3.

What are the key properties of ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).