2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine

C17H16F3N3O — CID 162719386

IUPAC2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine
SMILESCOC1(c2ccc(F)c(C(F)F)c2)C=CC(Cn2cccn2)=CN1
InChIInChI=1S/C17H16F3N3O/c1-24-17(13-3-4-15(18)14(9-13)16(19)20)6-5-12(10-21-17)11-23-8-2-7-22-23/h2-10,16,21H,11H2,1H3
InChIKeyQSXREFJUWUQVEN-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.50
Rot. Bonds5

About 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine

2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine (PubChem CID 162719386) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine
PubChem CID162719386
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine
SMILESCOC1(c2ccc(F)c(C(F)F)c2)C=CC(Cn2cccn2)=CN1
InChIInChI=1S/C17H16F3N3O/c1-24-17(13-3-4-15(18)14(9-13)16(19)20)6-5-12(10-21-17)11-23-8-2-7-22-23/h2-10,16,21H,11H2,1H3
InChIKeyQSXREFJUWUQVEN-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 84587706
4-((2s,3r)-3-(2,4-Difluorophenyl)-3-hydroxy-4-(1h-pyrazol-1-yl)butan-2-yl)-5-fluoro-1,2-dihydropyrimidin-2-ol
CID 176472831
1-[Methoxy(phenyl)methyl]pyrazole
CID 91244891
N-[(2S*,4R*,6R*)-2-(1-allyl-1H-pyrazol-4-yl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949848
N-{(2R*,4R*,6S*)-2-phenyl-6-[3-(1H-pyrazol-1-ylmethyl)phenyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50954174
N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
CID 50974702
(2S)-2-(2,4-difluorophenyl)-2-[(1R)-1-(1H-pyrazol-1-yl)ethyl]oxirane
CID 15337561
1-[1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyrazole
CID 57163158
4-[[3-(1-Methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 58993481
(3-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928264
(2-fluorophenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66928625
[3-(trifluoromethyl)phenyl]methyl N-[1-(5,5-difluorohexyl)pyrazol-4-yl]carbamate
CID 66929274

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine?
The IUPAC name of 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine (CID 162719386) is 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine?
The canonical SMILES for 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine is COC1(c2ccc(F)c(C(F)F)c2)C=CC(Cn2cccn2)=CN1.
What is the InChIKey of 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine?
The InChIKey is QSXREFJUWUQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-24-17(13-3-4-15(18)14(9-13)16(19)20)6-5-12(10-21-17)11-23-8-2-7-22-23/h2-10,16,21H,11H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine?
2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine has a molecular weight of 335.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-(pyrazol-1-ylmethyl)-1H-pyridine is sourced from PubChem (CID 162719386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).