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

C25H20ClF3N2O3 — CID 137183282

IUPAC5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc1
InChIInChI=1S/C25H20ClF3N2O3/c1-31-24(25(27,28)29)22(16-5-9-18(33-2)10-6-16)23(30-31)20-12-11-19(13-21(20)32)34-14-15-3-7-17(26)8-4-15/h3-13,32H,14H2,1-2H3
InChIKeyPBEQNPAKMUDIAK-UHFFFAOYSA-N
MW488.89 g/mol
LogP6.72
Rot. Bonds6

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

5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 137183282) has the molecular formula C25H20ClF3N2O3 and a molecular weight of 488.89 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID137183282
Molecular FormulaC25H20ClF3N2O3
Molecular Weight488.89 g/mol
Exact Mass488.11
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc1
InChIInChI=1S/C25H20ClF3N2O3/c1-31-24(25(27,28)29)22(16-5-9-18(33-2)10-6-16)23(30-31)20-12-11-19(13-21(20)32)34-14-15-3-7-17(26)8-4-15/h3-13,32H,14H2,1-2H3
InChIKeyPBEQNPAKMUDIAK-UHFFFAOYSA-N
XLogP6.72
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-Dimethyl-4-phenoxy-1H-pyrazol-3-YL)-5-ethoxyphenol
CID 764777
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
5-[(4-chlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183252
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
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
5-[(4-Chlorophenyl)methoxy]-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155926941

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 137183282) is 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)nn(C)c2C(F)(F)F)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is PBEQNPAKMUDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N2O3/c1-31-24(25(27,28)29)22(16-5-9-18(33-2)10-6-16)23(30-31)20-12-11-19(13-21(20)32)34-14-15-3-7-17(26)8-4-15/h3-13,32H,14H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol has a molecular weight of 488.89 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 137183282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).