5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid

C10H10N4O2 — CID 58970572

IUPAC5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2cnc(C(=O)O)cn2)n(C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-12-8(5-11-7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyNNVBSBRSUOUFRF-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid

5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid (PubChem CID 58970572) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid
PubChem CID58970572
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2cnc(C(=O)O)cn2)n(C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-12-8(5-11-7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyNNVBSBRSUOUFRF-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid (CID 58970572) is 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid is Cc1cc(-c2cnc(C(=O)O)cn2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The InChIKey is NNVBSBRSUOUFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-12-8(5-11-7)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid?
5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 58970572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).