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

C17H15N3O3 — CID 90205231

IUPAC2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyROLKCSJSIFETFK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.85
Rot. Bonds5

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

2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205231) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205231
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyROLKCSJSIFETFK-UHFFFAOYSA-N
XLogP2.85
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205231) is 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is ROLKCSJSIFETFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).