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

C19H17F3N2O3 — CID 21090844

IUPAC2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-15-6-2-13(3-7-15)17-12-18(19(20,21)22)23-24(17)14-4-8-16(9-5-14)27-11-10-25/h2-9,12,25H,10-11H2,1H3
InChIKeyQZYMPNTVDMGNEH-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.94
Rot. Bonds6

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

2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol (PubChem CID 21090844) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol
PubChem CID21090844
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-15-6-2-13(3-7-15)17-12-18(19(20,21)22)23-24(17)14-4-8-16(9-5-14)27-11-10-25/h2-9,12,25H,10-11H2,1H3
InChIKeyQZYMPNTVDMGNEH-UHFFFAOYSA-N
XLogP3.94
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol (CID 21090844) is 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol?
The InChIKey is QZYMPNTVDMGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-26-15-6-2-13(3-7-15)17-12-18(19(20,21)22)23-24(17)14-4-8-16(9-5-14)27-11-10-25/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol?
2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol has a molecular weight of 378.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol is sourced from PubChem (CID 21090844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).