2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

C24H19F3N2O3 — CID 135651368

IUPAC2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O3/c1-31-17-9-7-16(8-10-17)21-22(28-29-23(21)24(25,26)27)19-12-11-18(13-20(19)30)32-14-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,28,29)
InChIKeyVZSFBNGRFPTJNQ-UHFFFAOYSA-N
MW440.42 g/mol
LogP6.06
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (PubChem CID 135651368) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
PubChem CID135651368
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O3/c1-31-17-9-7-16(8-10-17)21-22(28-29-23(21)24(25,26)27)19-12-11-18(13-20(19)30)32-14-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,28,29)
InChIKeyVZSFBNGRFPTJNQ-UHFFFAOYSA-N
XLogP6.06
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cct-018159
CID 984170
3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
4-(4-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-YL)-1,3-benzenediol
CID 939600
4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 666539
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
4-(3-Methyl-4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol
CID 659188
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (CID 135651368) is 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The InChIKey is VZSFBNGRFPTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-31-17-9-7-16(8-10-17)21-22(28-29-23(21)24(25,26)27)19-12-11-18(13-20(19)30)32-14-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,28,29).
What are the key properties of 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol has a molecular weight of 440.42 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is sourced from PubChem (CID 135651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).