5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C23H14Cl2F4N2O2 — CID 2015794

About 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 2015794) has the molecular formula C23H14Cl2F4N2O2 and a molecular weight of 497.28 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

• Compound Name: 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
• PubChem CID: 2015794
• Molecular Formula: C23H14Cl2F4N2O2
• Molecular Weight: 497.28 g/mol
• Exact Mass: 496.04
• IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
• SMILES: Oc1cc(OCc2c(F)cccc2Cl)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H14Cl2F4N2O2/c24-13-6-4-12(5-7-13)20-21(30-31-22(20)23(27,28)29)15-9-8-14(10-19(15)32)33-11-16-17(25)2-1-3-18(16)26/h1-10,32H,11H2,(H,30,31)
• InChIKey: YAVGYLJBHYYHQI-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 58.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.28
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 2015794) is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(OCc2c(F)cccc2Cl)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1.

What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

The InChIKey is YAVGYLJBHYYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N2O2/c24-13-6-4-12(5-7-13)20-21(30-31-22(20)23(27,28)29)15-9-8-14(10-19(15)32)33-11-16-17(25)2-1-3-18(16)26/h1-10,32H,11H2,(H,30,31).

What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?

5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 497.28 g/mol, XLogP of 7.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 2015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).