4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

C19H21N7O3 — CID 59003677

About 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one

4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 59003677) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
• PubChem CID: 59003677
• Molecular Formula: C19H21N7O3
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.17
• IUPAC Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
• SMILES: COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccn(C)n2)cn1
• InChI: InChI=1S/C19H21N7O3/c1-23-8-9-25(12-18(23)27)19(28)15-10-16(14-6-7-24(2)21-14)26(22-15)13-4-5-17(29-3)20-11-13/h4-7,10-11H,8-9,12H2,1-3H3
• InChIKey: KAWHGYZJELQOTG-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 98.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The IUPAC name of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one (CID 59003677) is 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one.

What is the SMILES notation for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The canonical SMILES for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccn(C)n2)cn1.

What is the InChIKey of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

The InChIKey is KAWHGYZJELQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-23-8-9-25(12-18(23)27)19(28)15-10-16(14-6-7-24(2)21-14)26(22-15)13-4-5-17(29-3)20-11-13/h4-7,10-11H,8-9,12H2,1-3H3.

What are the key properties of 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one?

4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 395.42 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 59003677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).