2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol

C20H20F2N2O4 — CID 21090759

IUPAC2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(OCC(F)F)cc2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C20H20F2N2O4/c1-26-16-8-4-15(5-9-16)24-18(12-20(23-24)28-13-19(21)22)14-2-6-17(7-3-14)27-11-10-25/h2-9,12,19,25H,10-11,13H2,1H3
InChIKeyYXEQDOHXCRQNAD-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.56
Rot. Bonds9

About 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol

2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol (PubChem CID 21090759) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol
PubChem CID21090759
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(OCC(F)F)cc2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C20H20F2N2O4/c1-26-16-8-4-15(5-9-16)24-18(12-20(23-24)28-13-19(21)22)14-2-6-17(7-3-14)27-11-10-25/h2-9,12,19,25H,10-11,13H2,1H3
InChIKeyYXEQDOHXCRQNAD-UHFFFAOYSA-N
XLogP3.56
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol (CID 21090759) is 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol is COc1ccc(-n2nc(OCC(F)F)cc2-c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol?
The InChIKey is YXEQDOHXCRQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-26-16-8-4-15(5-9-16)24-18(12-20(23-24)28-13-19(21)22)14-2-6-17(7-3-14)27-11-10-25/h2-9,12,19,25H,10-11,13H2,1H3.
What are the key properties of 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol?
2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol has a molecular weight of 390.39 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanol is sourced from PubChem (CID 21090759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).