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

C28H22F4N4O2 — CID 2368510

IUPAC4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
SMILESCCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)c(O)cc1OCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C28H22F4N4O2/c1-2-18-12-22(26-25(19-8-10-20(29)11-9-19)27(35-34-26)28(30,31)32)23(37)13-24(18)38-16-17-14-33-36(15-17)21-6-4-3-5-7-21/h3-15,37H,2,16H2,1H3,(H,34,35)
InChIKeyBKVCOKUFSHMDMS-UHFFFAOYSA-N
MW522.50 g/mol
LogP6.93
Rot. Bonds7

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

4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol (PubChem CID 2368510) has the molecular formula C28H22F4N4O2 and a molecular weight of 522.50 g/mol. Its IUPAC name is 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
PubChem CID2368510
Molecular FormulaC28H22F4N4O2
Molecular Weight522.50 g/mol
Exact Mass522.17
IUPAC Name4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
SMILESCCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)c(O)cc1OCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C28H22F4N4O2/c1-2-18-12-22(26-25(19-8-10-20(29)11-9-19)27(35-34-26)28(30,31)32)23(37)13-24(18)38-16-17-14-33-36(15-17)21-6-4-3-5-7-21/h3-15,37H,2,16H2,1H3,(H,34,35)
InChIKeyBKVCOKUFSHMDMS-UHFFFAOYSA-N
XLogP6.93
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.50
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
4-ethyl-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 135703825
2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 135652185
3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propyl-triphenylphosphanium
CID 19375856
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 164643654
4-[(3-methyl-2-nitrophenoxy)methyl]-1-phenylpyrazole
CID 112828258
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935783

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The IUPAC name of 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol (CID 2368510) is 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol.
What is the SMILES notation for 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The canonical SMILES for 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol is CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)c(O)cc1OCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The InChIKey is BKVCOKUFSHMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N4O2/c1-2-18-12-22(26-25(19-8-10-20(29)11-9-19)27(35-34-26)28(30,31)32)23(37)13-24(18)38-16-17-14-33-36(15-17)21-6-4-3-5-7-21/h3-15,37H,2,16H2,1H3,(H,34,35).
What are the key properties of 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol has a molecular weight of 522.50 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol is sourced from PubChem (CID 2368510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).