3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C19H21N7O2 — CID 90507722

About 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 90507722) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
• PubChem CID: 90507722
• Molecular Formula: C19H21N7O2
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.18
• IUPAC Name: 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
• SMILES: Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
• InChI: InChI=1S/C19H21N7O2/c1-13-18(14(2)26(23-13)16-5-3-4-8-20-16)24-9-11-25(12-10-24)19(28)15-6-7-17(27)22-21-15/h3-8H,9-12H2,1-2H3,(H,22,27)
• InChIKey: BPYLZMOPEKGEOW-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?

The IUPAC name of 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 90507722) is 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

What is the SMILES notation for 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?

The canonical SMILES for 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.

What is the InChIKey of 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?

The InChIKey is BPYLZMOPEKGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-18(14(2)26(23-13)16-5-3-4-8-20-16)24-9-11-25(12-10-24)19(28)15-6-7-17(27)22-21-15/h3-8H,9-12H2,1-2H3,(H,22,27).

What are the key properties of 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?

3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 379.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 90507722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).