5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C25H27F3N2O3 — CID 137183239

IUPAC5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCCc1ccc(Oc2c(-c3ccc(OCC4CCCCC4)cc3O)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N2O3/c1-2-16-8-10-18(11-9-16)33-23-22(29-30-24(23)25(26,27)28)20-13-12-19(14-21(20)31)32-15-17-6-4-3-5-7-17/h8-14,17,31H,2-7,15H2,1H3,(H,29,30)
InChIKeyYSOGRIRYXWONQN-UHFFFAOYSA-N
MW460.50 g/mol
LogP7.11
Rot. Bonds7

About 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183239) has the molecular formula C25H27F3N2O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183239
Molecular FormulaC25H27F3N2O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCCc1ccc(Oc2c(-c3ccc(OCC4CCCCC4)cc3O)n[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N2O3/c1-2-16-8-10-18(11-9-16)33-23-22(29-30-24(23)25(26,27)28)20-13-12-19(14-21(20)31)32-15-17-6-4-3-5-7-17/h8-14,17,31H,2-7,15H2,1H3,(H,29,30)
InChIKeyYSOGRIRYXWONQN-UHFFFAOYSA-N
XLogP7.11
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
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
5-Ethoxy-2-(4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl)phenol
CID 730746
3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol
CID 802199
2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
CID 1402084
4-(4-(2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol
CID 2040010

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183239) is 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is CCc1ccc(Oc2c(-c3ccc(OCC4CCCCC4)cc3O)n[nH]c2C(F)(F)F)cc1.
What is the InChIKey of 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is YSOGRIRYXWONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O3/c1-2-16-8-10-18(11-9-16)33-23-22(29-30-24(23)25(26,27)28)20-13-12-19(14-21(20)31)32-15-17-6-4-3-5-7-17/h8-14,17,31H,2-7,15H2,1H3,(H,29,30).
What are the key properties of 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 460.50 g/mol, XLogP of 7.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-2-[4-(4-ethylphenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).