2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol

C25H20F4N2O4 — CID 135652185

IUPAC2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C(F)(F)F)cc1OC
InChIInChI=1S/C25H20F4N2O4/c1-33-20-10-7-14(11-21(20)34-2)22-23(30-31-24(22)25(27,28)29)17-9-8-16(12-19(17)32)35-13-15-5-3-4-6-18(15)26/h3-12,32H,13H2,1-2H3,(H,30,31)
InChIKeySOAKOURFORLYNO-UHFFFAOYSA-N
MW488.44 g/mol
LogP6.20
Rot. Bonds7

About 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol

2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol (PubChem CID 135652185) has the molecular formula C25H20F4N2O4 and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
PubChem CID135652185
Molecular FormulaC25H20F4N2O4
Molecular Weight488.44 g/mol
Exact Mass488.14
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C(F)(F)F)cc1OC
InChIInChI=1S/C25H20F4N2O4/c1-33-20-10-7-14(11-21(20)34-2)22-23(30-31-24(22)25(27,28)29)17-9-8-16(12-19(17)32)35-13-15-5-3-4-6-18(15)26/h3-12,32H,13H2,1-2H3,(H,30,31)
InChIKeySOAKOURFORLYNO-UHFFFAOYSA-N
XLogP6.20
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.44
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 2015794
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
CID 135652219
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol (CID 135652185) is 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol is COc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C(F)(F)F)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The InChIKey is SOAKOURFORLYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O4/c1-33-20-10-7-14(11-21(20)34-2)22-23(30-31-24(22)25(27,28)29)17-9-8-16(12-19(17)32)35-13-15-5-3-4-6-18(15)26/h3-12,32H,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol?
2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol has a molecular weight of 488.44 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol is sourced from PubChem (CID 135652185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).