2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

C21H17ClF6N2O3 — CID 155402428

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCOCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF6N2O3/c1-30-15(10-17(29-30)21(26,27)28)12-4-6-16(33-8-7-32-2)18(19(12)31)11-3-5-14(22)13(9-11)20(23,24)25/h3-6,9-10,31H,7-8H2,1-2H3
InChIKeyUQILXCSKGAGPAY-UHFFFAOYSA-N
MW494.82 g/mol
LogP6.18
Rot. Bonds6

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 155402428) has the molecular formula C21H17ClF6N2O3 and a molecular weight of 494.82 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID155402428
Molecular FormulaC21H17ClF6N2O3
Molecular Weight494.82 g/mol
Exact Mass494.08
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCOCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF6N2O3/c1-30-15(10-17(29-30)21(26,27)28)12-4-6-16(33-8-7-32-2)18(19(12)31)11-3-5-14(22)13(9-11)20(23,24)25/h3-6,9-10,31H,7-8H2,1-2H3
InChIKeyUQILXCSKGAGPAY-UHFFFAOYSA-N
XLogP6.18
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.82
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[2-(2-aminoethoxy)ethoxy]phenyl]methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 170759699
4-[2-[2-[2-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155398862
[3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl] 2,3-dihydroxy-2-(hydroxymethyl)propanoate
CID 170766039
4-[2-[2-[5-[[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]methyl]cyclohepta-1,4,6-trien-1-yl]oxyethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170759618
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
5-[4-[2-(4-chlorophenyl)ethyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-2-nitrosophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 174311049
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
N-[2-(2-amino-2-methoxypropoxy)-2-methylpropyl]-3-[[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-methylphenyl)ethyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]but-3-en-1-amine
CID 174261132
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
2-chloro-N-[2-methoxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 67468607
5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 90122845

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 155402428) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is COCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is UQILXCSKGAGPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF6N2O3/c1-30-15(10-17(29-30)21(26,27)28)12-4-6-16(33-8-7-32-2)18(19(12)31)11-3-5-14(22)13(9-11)20(23,24)25/h3-6,9-10,31H,7-8H2,1-2H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol has a molecular weight of 494.82 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 155402428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).