[1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol

C27H26F4N2O — CID 71235239

About [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol

[1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol (PubChem CID 71235239) has the molecular formula C27H26F4N2O and a molecular weight of 470.51 g/mol. Its IUPAC name is [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
• PubChem CID: 71235239
• Molecular Formula: C27H26F4N2O
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.20
• IUPAC Name: [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
• SMILES: Cc1cc(/C(F)=C/c2ccc(C3(C(F)(F)F)CC3)cc2)nn1Cc1cccc(C2(CO)CC2)c1
• InChI: InChI=1S/C27H26F4N2O/c1-18-13-24(32-33(18)16-20-3-2-4-22(14-20)25(17-34)9-10-25)23(28)15-19-5-7-21(8-6-19)26(11-12-26)27(29,30)31/h2-8,13-15,34H,9-12,16-17H2,1H3/b23-15-
• InChIKey: TYBDVJITEGFJRD-HAHDFKILSA-N
• XLogP: 6.33
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?

The IUPAC name of [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol (CID 71235239) is [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol.

What is the SMILES notation for [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?

The canonical SMILES for [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol is Cc1cc(/C(F)=C/c2ccc(C3(C(F)(F)F)CC3)cc2)nn1Cc1cccc(C2(CO)CC2)c1.

What is the InChIKey of [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?

The InChIKey is TYBDVJITEGFJRD-HAHDFKILSA-N. The full InChI is InChI=1S/C27H26F4N2O/c1-18-13-24(32-33(18)16-20-3-2-4-22(14-20)25(17-34)9-10-25)23(28)15-19-5-7-21(8-6-19)26(11-12-26)27(29,30)31/h2-8,13-15,34H,9-12,16-17H2,1H3/b23-15-.

What are the key properties of [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?

[1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol has a molecular weight of 470.51 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol is sourced from PubChem (CID 71235239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).