FJXXVLHXLPRIGW-UHFFFAOYSA-N

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

C₁₈H₁₆ClN₃O₃ — CID 86725574

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

IUPAC2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl

InChIInChI=1S/C18H16ClN3O3/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)

InChIKeyFJXXVLHXLPRIGW-UHFFFAOYSA-N

MW357.80 g/mol

LogP3.76

Rot. Bonds6

About FJXXVLHXLPRIGW-UHFFFAOYSA-N

FJXXVLHXLPRIGW-UHFFFAOYSA-N (PubChem CID 86725574) has the molecular formula C₁₈H₁₆ClN₃O₃ and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name	FJXXVLHXLPRIGW-UHFFFAOYSA-N
PubChem CID	86725574
Molecular Formula	C₁₈H₁₆ClN₃O₃
Molecular Weight	357.80 g/mol
Exact Mass	357.09
IUPAC Name	2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILES	CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl
InChI	InChI=1S/C18H16ClN3O3/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	FJXXVLHXLPRIGW-UHFFFAOYSA-N
XLogP	3.76
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	357.80
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of FJXXVLHXLPRIGW-UHFFFAOYSA-N (CID 86725574) is 2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

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

The canonical SMILES for FJXXVLHXLPRIGW-UHFFFAOYSA-N is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl.

What is the InChIKey of FJXXVLHXLPRIGW-UHFFFAOYSA-N?

The InChIKey is FJXXVLHXLPRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/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 FJXXVLHXLPRIGW-UHFFFAOYSA-N?

FJXXVLHXLPRIGW-UHFFFAOYSA-N has a molecular weight of 357.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for FJXXVLHXLPRIGW-UHFFFAOYSA-N is sourced from PubChem (CID 86725574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 86725574 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.