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

C17H14FN3O3 — CID 86725572

IUPAC2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWPESTWIANQBENM-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.99
Rot. Bonds5

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

2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 86725572) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID86725572
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWPESTWIANQBENM-UHFFFAOYSA-N
XLogP2.99
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 86725572) is 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F.
What is the InChIKey of 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is WPESTWIANQBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).