2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C18H16FN3O3 — CID 86725578

IUPAC2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
InChIInChI=1S/C18H16FN3O3/c1-2-13-4-3-12(9-15(13)19)11-25-17-6-8-21-22(17)16-10-14(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyINIXTIFIUFLZRZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.25
Rot. Bonds6

About 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 86725578) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID86725578
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
InChIInChI=1S/C18H16FN3O3/c1-2-13-4-3-12(9-15(13)19)11-25-17-6-8-21-22(17)16-10-14(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyINIXTIFIUFLZRZ-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

CID 74766595
CID 74766595
CID 90204862
CID 90204862
CID 90205053
CID 90205053
CID 86725535
CID 86725535
CID 86725568
CID 86725568
CID 90204662
CID 90204662
CID 90205353
CID 90205353
CID 126754445
CID 126754445
CID 68178613
CID 68178613
CID 76901619
CID 76901619
CID 90204812
CID 90204812
CID 90204861
CID 90204861

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 86725578) is 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F.
What is the InChIKey of 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is INIXTIFIUFLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-13-4-3-12(9-15(13)19)11-25-17-6-8-21-22(17)16-10-14(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-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-ethyl-3-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-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).