[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol

C24H17Cl2F3N2O2 — CID 59240081

IUPAC[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2F3N2O2/c25-20-2-1-3-21(26)23(20)31-18(12-22(30-31)24(27,28)29)14-33-19-10-8-17(9-11-19)16-6-4-15(13-32)5-7-16/h1-12,32H,13-14H2
InChIKeyWZQFDBPWAQUQFC-UHFFFAOYSA-N
MW493.31 g/mol
LogP6.94
Rot. Bonds6

About [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol

[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol (PubChem CID 59240081) has the molecular formula C24H17Cl2F3N2O2 and a molecular weight of 493.31 g/mol. Its IUPAC name is [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
PubChem CID59240081
Molecular FormulaC24H17Cl2F3N2O2
Molecular Weight493.31 g/mol
Exact Mass492.06
IUPAC Name[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2F3N2O2/c25-20-2-1-3-21(26)23(20)31-18(12-22(30-31)24(27,28)29)14-33-19-10-8-17(9-11-19)16-6-4-15(13-32)5-7-16/h1-12,32H,13-14H2
InChIKeyWZQFDBPWAQUQFC-UHFFFAOYSA-N
XLogP6.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.31
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The IUPAC name of [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol (CID 59240081) is [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol is OCc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)cc1.
What is the InChIKey of [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The InChIKey is WZQFDBPWAQUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N2O2/c25-20-2-1-3-21(26)23(20)31-18(12-22(30-31)24(27,28)29)14-33-19-10-8-17(9-11-19)16-6-4-15(13-32)5-7-16/h1-12,32H,13-14H2.
What are the key properties of [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol has a molecular weight of 493.31 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol is sourced from PubChem (CID 59240081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).