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

C19H17F3N2O2 — CID 58806621

IUPAC2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-26-16-8-6-15(7-9-16)24-17(12-18(23-24)19(20,21)22)14-4-2-13(3-5-14)10-11-25/h2-9,12,25H,10-11H2,1H3
InChIKeyVHQMJKFIOPRQSB-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.10
Rot. Bonds5

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

2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 58806621) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID58806621
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H17F3N2O2/c1-26-16-8-6-15(7-9-16)24-17(12-18(23-24)19(20,21)22)14-4-2-13(3-5-14)10-11-25/h2-9,12,25H,10-11H2,1H3
InChIKeyVHQMJKFIOPRQSB-UHFFFAOYSA-N
XLogP4.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (CID 58806621) is 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is VHQMJKFIOPRQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-26-16-8-6-15(7-9-16)24-17(12-18(23-24)19(20,21)22)14-4-2-13(3-5-14)10-11-25/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 362.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 58806621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).