2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C18H16FN3O3 — CID 90204967

IUPAC2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyVESNHHASMCDWDO-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.25
Rot. Bonds6

About 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90204967) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90204967
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyVESNHHASMCDWDO-UHFFFAOYSA-N
XLogP3.25
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Fluorophenyl)methoxy]-4-(2-hydroxyethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205053
2-(5-(benzyloxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 86725535
2-[5-[(4-Cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725568
2-[5-[(4-Chloro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204662
2-(4-[2-(Dimethylamino)ethyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205353
1-[6-(3-Propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
3-[[4-[1-[6-[4-(Trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]oxybutyl]benzoyl]amino]propanoic acid
CID 68178613
2-(5-(3-methoxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901619
2-(5-{[4-(trifluoromethyl)benzyl]oxy}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90204812
2-(5-((4-Methoxybenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204861

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90204967) is 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.
What is the InChIKey of 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is VESNHHASMCDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24).
What are the key properties of 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 341.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90204967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).