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

C24H14Cl2F6N2O2 — CID 137183421

IUPAC5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H14Cl2F6N2O2/c25-14-4-1-12(2-5-14)11-36-15-6-8-17(19(35)10-15)21-20(22(34-33-21)24(30,31)32)16-7-3-13(9-18(16)26)23(27,28)29/h1-10,35H,11H2,(H,33,34)
InChIKeyUBIVFJVZJKHJDP-UHFFFAOYSA-N
MW547.28 g/mol
LogP8.37
Rot. Bonds5

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

5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183421) has the molecular formula C24H14Cl2F6N2O2 and a molecular weight of 547.28 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183421
Molecular FormulaC24H14Cl2F6N2O2
Molecular Weight547.28 g/mol
Exact Mass546.03
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H14Cl2F6N2O2/c25-14-4-1-12(2-5-14)11-36-15-6-8-17(19(35)10-15)21-20(22(34-33-21)24(30,31)32)16-7-3-13(9-18(16)26)23(27,28)29/h1-10,35H,11H2,(H,33,34)
InChIKeyUBIVFJVZJKHJDP-UHFFFAOYSA-N
XLogP8.37
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.28
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183421) is 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is UBIVFJVZJKHJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F6N2O2/c25-14-4-1-12(2-5-14)11-36-15-6-8-17(19(35)10-15)21-20(22(34-33-21)24(30,31)32)16-7-3-13(9-18(16)26)23(27,28)29/h1-10,35H,11H2,(H,33,34).
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 547.28 g/mol, XLogP of 8.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).