6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one

C20H22F3N7O — CID 126937003

About 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one (PubChem CID 126937003) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one
• PubChem CID: 126937003
• Molecular Formula: C20H22F3N7O
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.18
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4cc(C(F)(F)F)ncn4)CC3)n2)n1
• InChI: InChI=1S/C20H22F3N7O/c1-12-9-13(2)29(27-12)18-7-8-19(31)30(28-18)15-5-3-14(4-6-15)26-17-10-16(20(21,22)23)24-11-25-17/h7-11,14-15H,3-6H2,1-2H3,(H,24,25,26)
• InChIKey: OYYNWHJIMUZOOS-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one (CID 126937003) is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4cc(C(F)(F)F)ncn4)CC3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one?

The InChIKey is OYYNWHJIMUZOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-12-9-13(2)29(27-12)18-7-8-19(31)30(28-18)15-5-3-14(4-6-15)26-17-10-16(20(21,22)23)24-11-25-17/h7-11,14-15H,3-6H2,1-2H3,(H,24,25,26).

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one has a molecular weight of 433.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126937003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).