2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol

C17H16F3N3O — CID 169421207

IUPAC2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1-c1cc(C)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C17H16F3N3O/c1-10-7-16(14-9-23(5-6-24)22-11(14)2)21-15-4-3-12(8-13(10)15)17(18,19)20/h3-4,7-9,24H,5-6H2,1-2H3
InChIKeyMYLKDSDHHAMAML-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.73
Rot. Bonds3

About 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 169421207) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol
PubChem CID169421207
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1-c1cc(C)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C17H16F3N3O/c1-10-7-16(14-9-23(5-6-24)22-11(14)2)21-15-4-3-12(8-13(10)15)17(18,19)20/h3-4,7-9,24H,5-6H2,1-2H3
InChIKeyMYLKDSDHHAMAML-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol (CID 169421207) is 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1-c1cc(C)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is MYLKDSDHHAMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-10-7-16(14-9-23(5-6-24)22-11(14)2)21-15-4-3-12(8-13(10)15)17(18,19)20/h3-4,7-9,24H,5-6H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 335.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 169421207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).