3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid

C15H11N3O2 — CID 134462707

IUPAC3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11N3O2/c19-15(20)14-11(7-4-8-16-14)13-9-12(17-18-13)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)
InChIKeyBJECLLQAIIDYQR-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid

3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 134462707) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
PubChem CID134462707
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11N3O2/c19-15(20)14-11(7-4-8-16-14)13-9-12(17-18-13)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)
InChIKeyBJECLLQAIIDYQR-UHFFFAOYSA-N
XLogP2.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid (CID 134462707) is 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is BJECLLQAIIDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)14-11(7-4-8-16-14)13-9-12(17-18-13)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid?
3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134462707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).