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

C25H15Cl3F6N2O2 — CID 155402617

IUPAC4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1cc(Cl)c(OCc2ccc(Cl)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O
InChIInChI=1S/C25H15Cl3F6N2O2/c1-36-19(10-20(35-36)25(32,33)34)15-9-18(28)23(38-11-12-2-5-14(26)6-3-12)21(22(15)37)13-4-7-17(27)16(8-13)24(29,30)31/h2-10,37H,11H2,1H3
InChIKeyWKQSAODBWRZYQN-UHFFFAOYSA-N
MW595.75 g/mol
LogP9.04
Rot. Bonds5

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

4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 155402617) has the molecular formula C25H15Cl3F6N2O2 and a molecular weight of 595.75 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID155402617
Molecular FormulaC25H15Cl3F6N2O2
Molecular Weight595.75 g/mol
Exact Mass594.01
IUPAC Name4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1cc(Cl)c(OCc2ccc(Cl)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O
InChIInChI=1S/C25H15Cl3F6N2O2/c1-36-19(10-20(35-36)25(32,33)34)15-9-18(28)23(38-11-12-2-5-14(26)6-3-12)21(22(15)37)13-4-7-17(27)16(8-13)24(29,30)31/h2-10,37H,11H2,1H3
InChIKeyWKQSAODBWRZYQN-UHFFFAOYSA-N
XLogP9.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-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

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-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 155402446
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-[(4-Chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183254
5-[(4-Chlorophenyl)methoxy]-2-[1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 137183255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 155402617) is 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is Cn1nc(C(F)(F)F)cc1-c1cc(Cl)c(OCc2ccc(Cl)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is WKQSAODBWRZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3F6N2O2/c1-36-19(10-20(35-36)25(32,33)34)15-9-18(28)23(38-11-12-2-5-14(26)6-3-12)21(22(15)37)13-4-7-17(27)16(8-13)24(29,30)31/h2-10,37H,11H2,1H3.
What are the key properties of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol has a molecular weight of 595.75 g/mol, XLogP of 9.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 155402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).