2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid

C16H13N3O3 — CID 86725535

IUPAC2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1
InChIInChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)
InChIKeyFPJJSKKWGRACAX-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.54
Rot. Bonds5

About 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid

2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 86725535) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID86725535
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1
InChIInChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)
InChIKeyFPJJSKKWGRACAX-UHFFFAOYSA-N
XLogP2.54
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid (CID 86725535) is 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1.
What is the InChIKey of 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is FPJJSKKWGRACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 86725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).