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

C18H14ClF3N2O — CID 21090710

IUPAC2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClF3N2O/c19-14-5-7-15(8-6-14)24-16(11-17(23-24)18(20,21)22)13-3-1-12(2-4-13)9-10-25/h1-8,11,25H,9-10H2
InChIKeyHOMDHFUOWGYTHC-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.75
Rot. Bonds4

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

2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 21090710) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID21090710
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClF3N2O/c19-14-5-7-15(8-6-14)24-16(11-17(23-24)18(20,21)22)13-3-1-12(2-4-13)9-10-25/h1-8,11,25H,9-10H2
InChIKeyHOMDHFUOWGYTHC-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (CID 21090710) is 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is OCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is HOMDHFUOWGYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c19-14-5-7-15(8-6-14)24-16(11-17(23-24)18(20,21)22)13-3-1-12(2-4-13)9-10-25/h1-8,11,25H,9-10H2.
What are the key properties of 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 366.77 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 21090710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).