5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid

C13H9N5O2 — CID 141118088

IUPAC5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnn2-c2cccnc2)cn1
InChIInChI=1S/C13H9N5O2/c19-13(20)11-8-15-10(7-16-11)12-3-5-17-18(12)9-2-1-4-14-6-9/h1-8H,(H,19,20)
InChIKeyBPMZUNJXJXCBNM-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.42
Rot. Bonds3

About 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid

5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid (PubChem CID 141118088) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid
PubChem CID141118088
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnn2-c2cccnc2)cn1
InChIInChI=1S/C13H9N5O2/c19-13(20)11-8-15-10(7-16-11)12-3-5-17-18(12)9-2-1-4-14-6-9/h1-8H,(H,19,20)
InChIKeyBPMZUNJXJXCBNM-UHFFFAOYSA-N
XLogP1.42
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid (CID 141118088) is 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2ccnn2-c2cccnc2)cn1.
What is the InChIKey of 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The InChIKey is BPMZUNJXJXCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-13(20)11-8-15-10(7-16-11)12-3-5-17-18(12)9-2-1-4-14-6-9/h1-8H,(H,19,20).
What are the key properties of 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid?
5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-ylpyrazol-3-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 141118088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).