1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol

C20H18F4N2O — CID 58733826

IUPAC1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(C(F)(F)F)cc2)nc1CCc1ccccc1F
InChIInChI=1S/C20H18F4N2O/c1-13(27)17-12-26(16-9-7-15(8-10-16)20(22,23)24)25-19(17)11-6-14-4-2-3-5-18(14)21/h2-5,7-10,12-13,27H,6,11H2,1H3
InChIKeyPSXUEBGZLNNKDS-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.87
Rot. Bonds5

About 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol

1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (PubChem CID 58733826) has the molecular formula C20H18F4N2O and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
PubChem CID58733826
Molecular FormulaC20H18F4N2O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC Name1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(C(F)(F)F)cc2)nc1CCc1ccccc1F
InChIInChI=1S/C20H18F4N2O/c1-13(27)17-12-26(16-9-7-15(8-10-16)20(22,23)24)25-19(17)11-6-14-4-2-3-5-18(14)21/h2-5,7-10,12-13,27H,6,11H2,1H3
InChIKeyPSXUEBGZLNNKDS-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
3-[2-methyl-4-[2-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propoxy]phenyl]propanoic acid
CID 10343520
3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 134203398
1-(3-methylphenyl)-3-[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-one
CID 141154714
2-[4-(trifluoromethyl)phenyl]indazole
CID 1214779
4-(2-fluorophenyl)butan-2-ol
CID 12618518
5-[2-(4-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinoline
CID 70345399
1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59569138
4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174393856
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
ethane;2-[2-methyl-4-[3-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]butylsulfanyl]phenyl]acetic acid
CID 142923005

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (CID 58733826) is 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is CC(O)c1cn(-c2ccc(C(F)(F)F)cc2)nc1CCc1ccccc1F.
What is the InChIKey of 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is PSXUEBGZLNNKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O/c1-13(27)17-12-26(16-9-7-15(8-10-16)20(22,23)24)25-19(17)11-6-14-4-2-3-5-18(14)21/h2-5,7-10,12-13,27H,6,11H2,1H3.
What are the key properties of 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 378.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-fluorophenyl)ethyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 58733826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).