4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene

C30H31F6N5O — CID 177327970

About 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene

4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene (PubChem CID 177327970) has the molecular formula C30H31F6N5O and a molecular weight of 591.60 g/mol. Its IUPAC name is 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene.

Molecular Properties

• Compound Name: 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
• PubChem CID: 177327970
• Molecular Formula: C30H31F6N5O
• Molecular Weight: 591.60 g/mol
• Exact Mass: 591.24
• IUPAC Name: 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
• SMILES: CCn1cc(-c2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)n2)c(C(F)F)n1.Cc1cccc(F)c1
• InChI: InChI=1S/C23H24F5N5O.C7H7F/c1-2-32-12-16(20(31-32)21(24)25)18-11-15(14-7-4-3-5-8-14)22(34)33(30-18)13-19-17(23(26,27)28)9-6-10-29-19;1-6-3-2-4-7(8)5-6/h6,9-12,14,21H,2-5,7-8,13H2,1H3;2-5H,1H3
• InChIKey: QOBKRLYXLZRAGH-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.60
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The IUPAC name of 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene (CID 177327970) is 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene.

What is the SMILES notation for 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The canonical SMILES for 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene is CCn1cc(-c2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)n2)c(C(F)F)n1.Cc1cccc(F)c1.

What is the InChIKey of 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The InChIKey is QOBKRLYXLZRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N5O.C7H7F/c1-2-32-12-16(20(31-32)21(24)25)18-11-15(14-7-4-3-5-8-14)22(34)33(30-18)13-19-17(23(26,27)28)9-6-10-29-19;1-6-3-2-4-7(8)5-6/h6,9-12,14,21H,2-5,7-8,13H2,1H3;2-5H,1H3.

What are the key properties of 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene has a molecular weight of 591.60 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-6-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene is sourced from PubChem (CID 177327970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).