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

C18H16FN3O3 — CID 90205719

IUPAC2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyQZXMTFZQLZHLTN-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.25
Rot. Bonds6

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

2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205719) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205719
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyQZXMTFZQLZHLTN-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205719) is 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1.
What is the InChIKey of 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QZXMTFZQLZHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/h3-10H,2,11H2,1H3,(H,23,24).
What are the key properties of 2-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[4-ethyl-5-[(4-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-[4-ethyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).