4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine

C21H16FN3O — CID 118720981

IUPAC4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(COc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1
InChIInChI=1S/C21H16FN3O/c22-18-6-4-15(5-7-18)14-26-19-3-1-2-17(12-19)21-20(13-24-25-21)16-8-10-23-11-9-16/h1-13H,14H2,(H,24,25)
InChIKeyDNZHPYAAJMOOPF-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.86
Rot. Bonds5

About 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine

4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 118720981) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
PubChem CID118720981
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(COc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1
InChIInChI=1S/C21H16FN3O/c22-18-6-4-15(5-7-18)14-26-19-3-1-2-17(12-19)21-20(13-24-25-21)16-8-10-23-11-9-16/h1-13H,14H2,(H,24,25)
InChIKeyDNZHPYAAJMOOPF-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

A-674563
CID 11314340
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-(4-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine (CID 118720981) is 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine is Fc1ccc(COc2cccc(-c3[nH]ncc3-c3ccncc3)c2)cc1.
What is the InChIKey of 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is DNZHPYAAJMOOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-18-6-4-15(5-7-18)14-26-19-3-1-2-17(12-19)21-20(13-24-25-21)16-8-10-23-11-9-16/h1-13H,14H2,(H,24,25).
What are the key properties of 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 345.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 118720981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).