1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid

C13H8ClN5O2 — CID 23090192

IUPAC1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C13H8ClN5O2/c14-11-4-5-12(17-16-11)19-10(7-9(18-19)13(20)21)8-3-1-2-6-15-8/h1-7H,(H,20,21)
InChIKeyZAEYAFRHTHQBNZ-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.08
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid

1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 23090192) has the molecular formula C13H8ClN5O2 and a molecular weight of 301.69 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID23090192
Molecular FormulaC13H8ClN5O2
Molecular Weight301.69 g/mol
Exact Mass301.04
IUPAC Name1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C13H8ClN5O2/c14-11-4-5-12(17-16-11)19-10(7-9(18-19)13(20)21)8-3-1-2-6-15-8/h1-7H,(H,20,21)
InChIKeyZAEYAFRHTHQBNZ-UHFFFAOYSA-N
XLogP2.08
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid (CID 23090192) is 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is ZAEYAFRHTHQBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O2/c14-11-4-5-12(17-16-11)19-10(7-9(18-19)13(20)21)8-3-1-2-6-15-8/h1-7H,(H,20,21).
What are the key properties of 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 301.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 23090192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).