1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol

C26H25F5N2O — CID 78043730

About 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol

1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol (PubChem CID 78043730) has the molecular formula C26H25F5N2O and a molecular weight of 476.49 g/mol. Its IUPAC name is 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol.

Molecular Properties

• Compound Name: 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol
• PubChem CID: 78043730
• Molecular Formula: C26H25F5N2O
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.19
• IUPAC Name: 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol
• SMILES: Cc1cc(C(F)=Cc2ccc(C(C)(C)C(F)(F)F)c(F)c2)nn1Cc1cccc(C2(O)CC2)c1
• InChI: InChI=1S/C26H25F5N2O/c1-16-11-23(32-33(16)15-18-5-4-6-19(12-18)25(34)9-10-25)22(28)14-17-7-8-20(21(27)13-17)24(2,3)26(29,30)31/h4-8,11-14,34H,9-10,15H2,1-3H3
• InChIKey: KAIOSGWCFYGSSQ-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol?

The IUPAC name of 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol (CID 78043730) is 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol.

What is the SMILES notation for 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol?

The canonical SMILES for 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol is Cc1cc(C(F)=Cc2ccc(C(C)(C)C(F)(F)F)c(F)c2)nn1Cc1cccc(C2(O)CC2)c1.

What is the InChIKey of 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol?

The InChIKey is KAIOSGWCFYGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F5N2O/c1-16-11-23(32-33(16)15-18-5-4-6-19(12-18)25(34)9-10-25)22(28)14-17-7-8-20(21(27)13-17)24(2,3)26(29,30)31/h4-8,11-14,34H,9-10,15H2,1-3H3.

What are the key properties of 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol?

1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol has a molecular weight of 476.49 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol is sourced from PubChem (CID 78043730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).