N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone

C₂₁H₂₁N₇O₃ — CID 158826133

About N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone

N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone (PubChem CID 158826133) has the molecular formula C₂₁H₂₁N₇O₃ and a molecular weight of 419.45 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone.

Molecular Properties

• Compound Name: N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
• PubChem CID: 158826133
• Molecular Formula: C₂₁H₂₁N₇O₃
• Molecular Weight: 419.45 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
• SMILES: CC(=O)c1cnn(-c2cccnc2)c1.CON(C)C(=O)c1cnn(-c2cccnc2)c1
• InChI: InChI=1S/C11H12N4O2.C10H9N3O/c1-14(17-2)11(16)9-6-13-15(8-9)10-4-3-5-12-7-10;1-8(14)9-5-12-13(7-9)10-3-2-4-11-6-10/h3-8H,1-2H3;2-7H,1H3
• InChIKey: IWMCEGOUXGHEAO-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 108.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.45
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?

The IUPAC name of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone (CID 158826133) is N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone.

What is the SMILES notation for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?

The canonical SMILES for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone is CC(=O)c1cnn(-c2cccnc2)c1.CON(C)C(=O)c1cnn(-c2cccnc2)c1.

What is the InChIKey of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?

The InChIKey is IWMCEGOUXGHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2.C10H9N3O/c1-14(17-2)11(16)9-6-13-15(8-9)10-4-3-5-12-7-10;1-8(14)9-5-12-13(7-9)10-3-2-4-11-6-10/h3-8H,1-2H3;2-7H,1H3.

What are the key properties of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?

N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone has a molecular weight of 419.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 158826133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158826133 — identifiers, structure, computed properties (public domain)

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