4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol

C24H19F3N2O2 — CID 135693271

IUPAC4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2C(F)(F)F)c1-c1ccc(O)cc1
InChIInChI=1S/C24H19F3N2O2/c1-2-19-22(15-7-11-17(30)12-8-15)28-29(23(19)16-9-13-18(31)14-10-16)21-6-4-3-5-20(21)24(25,26)27/h3-14,30-31H,2H2,1H3
InChIKeyJSZIMPYTDUUKSX-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.20
Rot. Bonds4

About 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol

4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol (PubChem CID 135693271) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol
PubChem CID135693271
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2C(F)(F)F)c1-c1ccc(O)cc1
InChIInChI=1S/C24H19F3N2O2/c1-2-19-22(15-7-11-17(30)12-8-15)28-29(23(19)16-9-13-18(31)14-10-16)21-6-4-3-5-20(21)24(25,26)27/h3-14,30-31H,2H2,1H3
InChIKeyJSZIMPYTDUUKSX-UHFFFAOYSA-N
XLogP6.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol (CID 135693271) is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)nn(-c2ccccc2C(F)(F)F)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol?
The InChIKey is JSZIMPYTDUUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-2-19-22(15-7-11-17(30)12-8-15)28-29(23(19)16-9-13-18(31)14-10-16)21-6-4-3-5-20(21)24(25,26)27/h3-14,30-31H,2H2,1H3.
What are the key properties of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol?
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol has a molecular weight of 424.42 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol is sourced from PubChem (CID 135693271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).