INIXTIFIUFLZRZ-UHFFFAOYSA-N

Name: INIXTIFIUFLZRZ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆FN₃O₃ — CID 86725578

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 INIXTIFIUFLZRZ-UHFFFAOYSA-N

INIXTIFIUFLZRZ-UHFFFAOYSA-N (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 Name	INIXTIFIUFLZRZ-UHFFFAOYSA-N
PubChem CID	86725578
Molecular Formula	C₁₈H₁₆FN₃O₃
Molecular Weight	341.34 g/mol
Exact Mass	341.12
IUPAC Name	2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILES	CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
InChI	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)
InChIKey	INIXTIFIUFLZRZ-UHFFFAOYSA-N
XLogP	3.25
TPSA	77.24 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.34
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of INIXTIFIUFLZRZ-UHFFFAOYSA-N?

The IUPAC name of INIXTIFIUFLZRZ-UHFFFAOYSA-N (CID 86725578) is 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for INIXTIFIUFLZRZ-UHFFFAOYSA-N?

The canonical SMILES for INIXTIFIUFLZRZ-UHFFFAOYSA-N is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F.

What is the InChIKey of INIXTIFIUFLZRZ-UHFFFAOYSA-N?

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 INIXTIFIUFLZRZ-UHFFFAOYSA-N?

INIXTIFIUFLZRZ-UHFFFAOYSA-N 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 INIXTIFIUFLZRZ-UHFFFAOYSA-N is sourced from PubChem (CID 86725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86725578 — identifiers, structure, computed properties (public domain)

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