5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid

C19H13N3O2 — CID 15956864

IUPAC5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-17(22(21-16)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24)
InChIKeyAIXYTTDFBYNGHD-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds3

About 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid

5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 15956864) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID15956864
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-17(22(21-16)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24)
InChIKeyAIXYTTDFBYNGHD-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid (CID 15956864) is 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1.
What is the InChIKey of 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is AIXYTTDFBYNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)16-12-17(22(21-16)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24).
What are the key properties of 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid?
5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 15956864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).