2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C34H22ClF7N6O6 — CID 159690742

IUPAC2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2C(F)(F)F)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H11ClF3N3O3.C17H11F4N3O3/c2*18-12-2-1-11(13(8-12)17(19,20)21)9-27-15-4-6-23-24(15)14-7-10(16(25)26)3-5-22-14/h2*1-8H,9H2,(H,25,26)
InChIKeyMWJMORLSKUIMOF-UHFFFAOYSA-N
MW779.03 g/mol
LogP7.92
Rot. Bonds10

About 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 159690742) has the molecular formula C34H22ClF7N6O6 and a molecular weight of 779.03 g/mol. Its IUPAC name is 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID159690742
Molecular FormulaC34H22ClF7N6O6
Molecular Weight779.03 g/mol
Exact Mass778.12
IUPAC Name2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2C(F)(F)F)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H11ClF3N3O3.C17H11F4N3O3/c2*18-12-2-1-11(13(8-12)17(19,20)21)9-27-15-4-6-23-24(15)14-7-10(16(25)26)3-5-22-14/h2*1-8H,9H2,(H,25,26)
InChIKeyMWJMORLSKUIMOF-UHFFFAOYSA-N
XLogP7.92
TPSA154.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.03
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-{5-[(4-Chloro-2-Methylphenyl)methoxy]-1h-Pyrazol-1-Yl}pyridine-4-Carboxylic Acid
CID 74766595
2-(5-((4-Chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204862
2-{5-[(4-chloro-2-fluorobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90205153
Methyl 2-(5-((4-chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinate
CID 90205235
2-[5-[(4-Chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205326
2-[5-[(4-Chloro-2-phenylmethoxyphenyl)methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205426
2-[5-[(3-Chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725570
2-[5-[(3-Chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725574
2-[5-[(4-Fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204444
2-[5-[(6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90204782
2-[5-[(2,4-Difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204843
2-[5-[(2,4-Dichlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204863

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 159690742) is 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2C(F)(F)F)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MWJMORLSKUIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O3.C17H11F4N3O3/c2*18-12-2-1-11(13(8-12)17(19,20)21)9-27-15-4-6-23-24(15)14-7-10(16(25)26)3-5-22-14/h2*1-8H,9H2,(H,25,26).
What are the key properties of 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 779.03 g/mol, XLogP of 7.92, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-chloro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159690742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).