1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole

C26H20F6N2O3 — CID 134372470

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCCOc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(OCc2ccccc2)n1
InChIInChI=1S/C26H20F6N2O3/c1-2-35-23-13-10-19(25(27,28)29)14-22(23)34-15-21(18-8-11-20(12-9-18)37-26(30,31)32)24(33-34)36-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyZIMHEHYMPQNYKV-UHFFFAOYSA-N
MW522.45 g/mol
LogP7.43
Rot. Bonds8

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 134372470) has the molecular formula C26H20F6N2O3 and a molecular weight of 522.45 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID134372470
Molecular FormulaC26H20F6N2O3
Molecular Weight522.45 g/mol
Exact Mass522.14
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCCOc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(OCc2ccccc2)n1
InChIInChI=1S/C26H20F6N2O3/c1-2-35-23-13-10-19(25(27,28)29)14-22(23)34-15-21(18-8-11-20(12-9-18)37-26(30,31)32)24(33-34)36-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyZIMHEHYMPQNYKV-UHFFFAOYSA-N
XLogP7.43
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 53466526
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001
(4-(4-methoxybenzyl)-1-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)methanol
CID 16189125
(2R*,6S*)-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2,6-dimethylmorpholine
CID 70765080
3-ethyl-4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 70774445
(E)-N-[(2-fluorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127027630
Ethanamine, N,N-dimethyl-2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-, monohydrochloride
CID 3046901
Piperidine, 1-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046905
Morpholine, 4-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046907
Morpholine, 4-(2-((1-(4-methoxyphenyl)-4-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046909
Ethanamine, N,N-dimethyl-2-((4-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)oxy)-, monohydrochloride
CID 3046919
Morpholine, 4-(2-((4-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046921

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole (CID 134372470) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole is CCOc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(OCc2ccccc2)n1.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is ZIMHEHYMPQNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O3/c1-2-35-23-13-10-19(25(27,28)29)14-22(23)34-15-21(18-8-11-20(12-9-18)37-26(30,31)32)24(33-34)36-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3.
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 522.45 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 134372470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).