5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol

C26H19ClF6N2O2 — CID 137183254

IUPAC5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H19ClF6N2O2/c1-14-9-16(11-17(10-14)25(28,29)30)22-23(34-35(2)24(22)26(31,32)33)20-8-7-19(12-21(20)36)37-13-15-3-5-18(27)6-4-15/h3-12,36H,13H2,1-2H3
InChIKeyBHLZRGSIKAAMOR-UHFFFAOYSA-N
MW540.89 g/mol
LogP8.04
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol

5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 137183254) has the molecular formula C26H19ClF6N2O2 and a molecular weight of 540.89 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID137183254
Molecular FormulaC26H19ClF6N2O2
Molecular Weight540.89 g/mol
Exact Mass540.10
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H19ClF6N2O2/c1-14-9-16(11-17(10-14)25(28,29)30)22-23(34-35(2)24(22)26(31,32)33)20-8-7-19(12-21(20)36)37-13-15-3-5-18(27)6-4-15/h3-12,36H,13H2,1-2H3
InChIKeyBHLZRGSIKAAMOR-UHFFFAOYSA-N
XLogP8.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.89
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorobenzyl)oxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 1939738
4'-chloro-6-((4-chlorobenzyl)oxy)-3-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-ol
CID 139600320
3-[(4-Chlorophenyl)methoxy]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-morpholin-4-ylprop-1-ynyl)phenol
CID 171779159
3-[(4-Chlorophenyl)methoxy]-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 171779165
3-[(4-Chlorophenyl)methoxy]-2-(5-hydroxypent-1-ynyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 171779191
5-[(4-Chlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183249
2-[4-[3,5-Bis(trifluoromethyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
4-Chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 155402617
5-[(4-Chlorophenyl)methoxy]-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155926941
4-Chloro-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 170759552
6-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
CID 170759615
5-Butoxy-2-(1-methyl-4-phenoxy-5-(trifluoromethyl)-1H-pyrazol-3-YL)phenol
CID 3525396

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 137183254) is 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol is Cc1cc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is BHLZRGSIKAAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF6N2O2/c1-14-9-16(11-17(10-14)25(28,29)30)22-23(34-35(2)24(22)26(31,32)33)20-8-7-19(12-21(20)36)37-13-15-3-5-18(27)6-4-15/h3-12,36H,13H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol?
5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol has a molecular weight of 540.89 g/mol, XLogP of 8.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 137183254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).